4PDC

Crystal structure of Cowpox virus CPXV018 (OMCP) bound to human NKG2D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-19
Detector	NOIR-1
Wavelength(s)	1.00004
Spacegroup name	P 1 21 1
Unit cell lengths	43.315, 101.110, 91.368
Unit cell angles	90.00, 91.63, 90.00

Refinement procedure

Resolution	45.665 - 1.991
R-factor	0.1679
Rwork	0.166
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mpu 4ffe
RMSD bond length	0.003
RMSD bond angle	0.786
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	1.991	4.310	2.000
Rmerge	0.118	0.073	0.485
Total number of observations	309692
Number of reflections	50139
<I/σ(I)>	12.7
Completeness [%]	93.5	99.9	91.5
Redundancy	6.2	7.6	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.75	293	15% PEG 3350, 0.2M MgCl2, 0.1M Bis-Tris