3L6F

Structure of MHC class II molecule HLA-DR1 complexed with phosphopeptide MART-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-30
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 2
Unit cell lengths	91.210, 135.450, 40.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.220 - 2.100
Rwork	0.212
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t5w
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.220	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	30332
<I/σ(I)>	51.3	5.2
Completeness [%]	100.0	100
Redundancy	14.2	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	298	20% (w/v) PEG 8000 and 0.1 M sodium cacodylate, pH 6.5, EVAPORATION, temperature 298K