4G4F

Crystal structure of GITRL from Bushbaby

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	2012-06-14
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0750
Spacegroup name	P 63 2 2
Unit cell lengths	52.194, 52.194, 144.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.146 - 1.847
R-factor	0.209
Rwork	0.207
R-free	0.24380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q1m
RMSD bond length	0.007
RMSD bond angle	1.121
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.088	0.049	0.731
Number of reflections	10736
<I/σ(I)>	7.9
Completeness [%]	99.6	97.9	98.3
Redundancy	7.3	6.8	4.5

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 (0.1M Bis-Tris-HCl pH 5.5, 0.2M Sodium Chloride, 25%(w/v) PEG3350), Cryoprotection (Reservoir + 20% MPD), temperature 298K, VAPOR DIFFUSION, SITTING DROP