5LAX

Crystal structure of HLA_DRB1*04:01 in complex with alpha-enolase peptide 26-40

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.918
Spacegroup name	P 21 21 21
Unit cell lengths	69.176, 73.450, 144.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.560 - 2.600
R-factor	0.19491
Rwork	0.191
R-free	0.26965
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jlz
RMSD bond length	0.013
RMSD bond angle	1.614
Data reduction software	XDS (13.14.0)
Data scaling software	XDS (13.14.0)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200	2.750
High resolution limit [Å]	2.600	2.600
Number of reflections	138347
<I/σ(I)>	7.8	1.8
Completeness [%]	99.6	98.8
Redundancy	5.9	6
CC(1/2)	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	100 mM sodium malonate, pH 4.0, 12 to 18 percent (vol/vol) PEG3350