5WMO

Crystal Structure of HLA-B7 in complex with RPP, an EBV peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	50.571, 81.802, 109.568
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.920 - 1.620
R-factor	0.1723
Rwork	0.171
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vcl
RMSD bond length	0.010
RMSD bond angle	0.960
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.920	45.920	1.710
High resolution limit [Å]	1.620	5.140	1.620
Rmerge	0.108	0.041	0.768
Rmeas	0.116	0.042	0.045
Rpim	0.043	0.016	0.017
Total number of observations	423294	13396	59056
Number of reflections	58022	2031	8253
<I/σ(I)>	15.1	39.8	3
Completeness [%]	99.8	99.9	98.7
Redundancy	7.3	6.6	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	18-24%PEG4000, 0.2 NH4 Acetate, 0.1M Na-cacodylate pH 6.5