1CKJ

X-RAY DIFFRACTION

Crystalization Experiments
ID	Method	pH	Temperature	Details
1				MOLECULE: RECOMBINANT CASEIN KINASE I DELTA. CRYSTALS WERE GROWN BY THE SITTING DROP TECHNIQUE, MIXING 3 MICROLITER OF PROTEIN SOLUTION WITH 3 MICROLITER OF RESERVOIR SOLUTION. THE PROTEIN SOLUTION CONSISTED OF 14 MG/ML PROTEIN IN 50 MM TRIS-HCL (PH=7.5), 1 MM EDTA, 5 MM DTT, 0.2 M NACL, 2.5 MM BETA-OCTYL GLUCOSIDE. THE RESERVOIR SOLUTION CONTAINED 15% PEG 3400, 50 MM SODIUM CITRATE, 50 MM DIBASIC POTASSIUM PHOSPHATE, (PH=6.8). DATA WAS COLLECTED ON A CRYSTAL SOAKED FOR 6 DAYS IN 15% PEG 3400, 50 MM SODIUM CITRATE, 17.5 MM SODIUM TUNGSTATE, (PH=6.8). ROOM TEMPERATURE.

Crystal Properties
Matthews coefficient	Solvent content
2.52	51.25

Symmetry
Space Group	P 21 21 21

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray		IMAGE PLATE	RIGAKU RAXIS II		1994-08-01	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge 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	2.46	53	85	0.066		2.9		23846

Statistics
Diffraction ID	Structure Solution Method	Resolution (High)	Resolution (Low)	Cut-off Sigma (F)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	Mean Isotropic B
X-RAY DIFFRACTION		2.46	8	1	22955		85	0.192	0.192	0.271	38.1

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]

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	21.55
x_angle_deg	1.531
x_improper_angle_d	1.123
x_bond_d	0.007
x_bond_d_na
x_bond_d_prot
x_angle_d
x_angle_d_na
x_angle_d_prot
x_angle_deg_na

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	21.55
x_angle_deg	1.531
x_improper_angle_d	1.123
x_bond_d	0.007
x_bond_d_na
x_bond_d_prot
x_angle_d
x_angle_d_na
x_angle_d_prot
x_angle_deg_na
x_angle_deg_prot
x_dihedral_angle_d_na
x_dihedral_angle_d_prot
x_improper_angle_d_na
x_improper_angle_d_prot
x_mcbond_it
x_mcangle_it
x_scbond_it
x_scangle_it