6EQB

HLA class I histocompatibility antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9763
Spacegroup name	P 43
Unit cell lengths	120.771, 120.771, 82.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	120.770 - 2.810
R-factor	0.1865
Rwork	0.183
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hg1
RMSD bond length	0.020
RMSD bond angle	2.084
Data reduction software	xia2
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	120.771	120.771	2.880
High resolution limit [Å]	2.808	12.560	2.810
Rmerge		0.050	1.156
Rmeas	0.165	0.060	1.328
Rpim	0.058	0.023	0.464
Total number of observations	233037
Number of reflections	29094	357	2122
<I/σ(I)>	9.9	12.1	0.7
Completeness [%]	100.0	98.9	100
Redundancy	8	7.4	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M HEPES pH 7.0, 20% PEG 4000 and 15% glycerol