4KKN

Crystal structure of bovine CTLA-4, PSI-NYSGRC-012704

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-12
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0750
Spacegroup name	C 2 2 21
Unit cell lengths	80.875, 87.831, 52.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.915 - 2.253
R-factor	0.1923
Rwork	0.190
R-free	0.24090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x44
RMSD bond length	0.008
RMSD bond angle	1.284
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.082	0.037	0.677
Number of reflections	9112
<I/σ(I)>	8.7
Completeness [%]	99.9	100	98.9
Redundancy	13.6	12.6	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Protein (20 mM Hepes, pH 7.5, 150 mM NaCl, 10% glycerol, Reservoir (30%(w/v) PEG1500, 10%(v/v) Isopropanol, 0.1M CaCl2, 0.1M Imidazole, pH 6.5), Cryoprotection (70%(v/v) Sucrose), Vapor Diffusion, Sitting Drop, temperature 298K