Experiment: 1P60

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.95-1.0M citrate trisodium dihydrate, 100mM Hepes, 5mM deoxycytidine, 5mM ADP, 5mM MgCl2,5mM DTT, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K

Crystal Properties
Matthews coefficient	Solvent content
2.24	44.97

Symmetry
Space Group	C 2 2 21

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	110	CCD	MARRESEARCH		2001-12-16	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	APS BEAMLINE 14-BM-D	0.9000	APS	14-BM-D

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	1.96	30		0.045	23.7	6.9		39365			25

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)
	1.96	2			0.291	3.3

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Resolution (High)	Resolution (Low)	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	MAD	THROUGHOUT	1.96	30	35428	3936	98.67	0.16491	0.16066	0.2035	RANDOM	26.099

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]
-0.05			0.43		-0.38

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_1_deg	6.22
r_scangle_it	4.522
r_scbond_it	2.893
r_mcangle_it	2.104
r_angle_refined_deg	1.922
r_angle_other_deg	1.254
r_mcbond_it	1.158
r_symmetry_hbond_refined	0.401
r_symmetry_vdw_refined	0.3
r_symmetry_vdw_other	0.294

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_1_deg	6.22
r_scangle_it	4.522
r_scbond_it	2.893
r_mcangle_it	2.104
r_angle_refined_deg	1.922
r_angle_other_deg	1.254
r_mcbond_it	1.158
r_symmetry_hbond_refined	0.401
r_symmetry_vdw_refined	0.3
r_symmetry_vdw_other	0.294
r_nbd_other	0.245
r_nbd_refined	0.216
r_xyhbond_nbd_refined	0.191
r_chiral_restr	0.107
r_nbtor_other	0.089
r_bond_refined_d	0.02
r_gen_planes_refined	0.01
r_gen_planes_other	0.007
r_bond_other_d	0.002