Experiment: 2H1E

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	2B2Y	PDB ENTRY 2B2Y, CHAIN A WITHOUT B1-B2 LOOP

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		8	283	10mM BTP, 12mM NaCl, 5mM TCEP, 0.9M ammonium sulfate, 3.75% isopropanol, 4.5mg/ml yeast CHD1 tandem chromodomains, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 283K, pH 8.00

Crystal Properties
Matthews coefficient	Solvent content
3.11	60.43

Symmetry
Space Group	I 41

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	MARRESEARCH		2005-07-12	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	APS BEAMLINE 22-ID		APS	22-ID

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Sym I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1	2.2	19.57	95.7	0.104	10.8	3.5		25838		-3

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.2	2.28	80.9		0.449	1.7	2

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	Number Reflections (All)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	PDB ENTRY 2B2Y, CHAIN A WITHOUT B1-B2 LOOP	2.2	19.57	25934	25796	1299	95.7	0.192	0.189	0.246	RANDOM	30.85

Temperature Factor Modeling
Anisotropic B[1][1]	Anisotropic B[1][2]	Anisotropic B[1][3]	Anisotropic B[2][2]	Anisotropic B[2][3]	Anisotropic B[3][3]
0.01			0.01		-0.02

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	33.941
r_dihedral_angle_1_deg	28.126
r_dihedral_angle_4_deg	20.282
r_dihedral_angle_3_deg	17.408
r_scangle_it	6.189
r_scbond_it	4.383
r_mcangle_it	2.338
r_mcbond_it	2.25
r_angle_refined_deg	2.226
r_nbtor_refined	0.318

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	33.941
r_dihedral_angle_1_deg	28.126
r_dihedral_angle_4_deg	20.282
r_dihedral_angle_3_deg	17.408
r_scangle_it	6.189
r_scbond_it	4.383
r_mcangle_it	2.338
r_mcbond_it	2.25
r_angle_refined_deg	2.226
r_nbtor_refined	0.318
r_nbd_refined	0.273
r_chiral_restr	0.266
r_symmetry_vdw_refined	0.266
r_xyhbond_nbd_refined	0.246
r_symmetry_hbond_refined	0.223
r_bond_refined_d	0.023
r_gen_planes_refined	0.009
r_bond_other_d
r_angle_other_deg
r_gen_planes_other
r_nbd_other
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded