5C09

HLA class I histocompatibility antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97630
Spacegroup name	P 1
Unit cell lengths	43.830, 100.070, 122.440
Unit cell angles	96.91, 98.31, 96.52

Refinement procedure

Resolution	98.457 - 2.475
R-factor	0.2074
Rwork	0.205
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3UTP and 3UTQ
RMSD bond length	0.013
RMSD bond angle	1.743
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	98.457	98.457	2.540
High resolution limit [Å]	2.475	11.070	2.470
Rmerge		0.074	0.563
Rmeas	0.127
Rpim	0.084	0.043	0.407
Total number of observations	140157	1633	10379
Number of reflections	70968
<I/σ(I)>	4.9	7.8	2.1
Completeness [%]	98.2	96.8	97.5
Redundancy	2	2.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M sodium cacodylate pH6.5, 15% PEG 4000, 0.2M sodium acetate