6L9N

H2-Ld complexed with A5 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-02
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	51.961, 88.443, 105.805
Unit cell angles	80.99, 75.81, 88.34

Refinement procedure

Resolution	19.964 - 2.600
R-factor	0.2105
Rwork	0.209
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ld9
RMSD bond length	0.021
RMSD bond angle	1.742
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.142	0.431
Number of reflections	53822	4798
<I/σ(I)>	7.4
Completeness [%]	97.8
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M sodium malonate pH 5.0, 15-20 % PEG 3350 and 5% 1, 6-Hexanediol