4X5W

HLA-DR1 with CLIP102-120(M107W)

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	CCD
Collection date	2010-06-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	C 2 2 21
Unit cell lengths	73.775, 90.851, 138.793
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.698 - 1.340
R-factor	0.1474
Rwork	0.146
R-free	0.17000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dlh
RMSD bond length	0.016
RMSD bond angle	1.562
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000		1.370
High resolution limit [Å]	1.340	5.990	1.340
Rmerge	0.049	0.030	0.505
Rmeas	0.056	0.036	0.620
Total number of observations	406147
Number of reflections	102579	1273	6438
<I/σ(I)>	15.13	35.79	2.05
Completeness [%]	98.2	97.8	83.8
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2 M K/Na-tartrate, 20% (w/v) PEG3350, 0.1M BisTrisPropane, pH 8.5