3WEX

Crystal structure of HLA-DP5 in complex with Cry j 1-derived peptide (residues 214-222)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	61.150, 64.370, 130.360
Unit cell angles	92.99, 97.53, 109.41

Refinement procedure

Resolution	64.279 - 2.400
R-factor	0.2034
Rwork	0.202
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lqz
RMSD bond length	0.005
RMSD bond angle	1.071
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.280	64.300	2.570
High resolution limit [Å]	2.400	6.260	2.400
Number of reflections	70445
<I/σ(I)>	12.31	24.37	2.7
Completeness [%]	97.4	99.2	95.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	24% (w/v) PEG 3350, 0.2M Ammonium nitrate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K