5V4N

Structure of HLA-DR1 with bound alpha3(135-145) 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	2016-06-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	82.086, 118.410, 120.875
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.831 - 3.405
R-factor	0.2146
Rwork	0.212
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qxa
RMSD bond length	0.002
RMSD bond angle	0.655
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.831
High resolution limit [Å]	3.405
Rmerge	0.110	0.365
Number of reflections	16628	1610
<I/σ(I)>	6.04	2.6
Completeness [%]	99.0	99
Redundancy	2	2
CC(1/2)	0.942	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298.15	23% PEG 3350, 0.1M KNO3, and 0.1M bis-tris-propane (pH 7.0)