4U1H

HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-16
Detector	PSI PILATUS 6M
Wavelength(s)	0.920
Spacegroup name	P 21 21 21
Unit cell lengths	51.000, 81.440, 110.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.030 - 1.590
R-factor	0.1654
Rwork	0.164
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i4w
RMSD bond length	0.020
RMSD bond angle	1.961
Data reduction software	GDA
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.030	55.030	1.630
High resolution limit [Å]	1.590	7.110	1.590
Rmerge	0.073	0.037	0.725
Rpim	0.029	0.015	0.293
Total number of observations	456801	5577	32099
Number of reflections	62396
<I/σ(I)>	16.5	44.5	3
Completeness [%]	99.9	99.9	100
Redundancy	7.3	6.8	7
CC(1/2)	0.999	0.999	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	22% PEG 4000 and 0.2 M ammonium sulphate, 0.1M sodium acetate