4O2F

A peptide complexed with HLA-B*3901

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97924
Spacegroup name	P 21 21 21
Unit cell lengths	78.369, 95.918, 122.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.604 - 1.901
R-factor	0.1868
Rwork	0.185
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bst
RMSD bond length	0.010
RMSD bond angle	1.502
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	68094
Completeness [%]	96.7	97.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	0.2M sodium formate, 20% (w/v) PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K