3KPQ

Crystal Structure of HLA B*4405 in complex with EEYLKAWTF, a mimotope

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	50.247, 81.910, 109.401
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.510 - 1.840
R-factor	0.207
Rwork	0.204
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1syv
RMSD bond length	0.010
RMSD bond angle	1.258
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.510	50.000	1.880
High resolution limit [Å]	1.840	5.020	1.840
Rmerge	0.063	0.026	0.376
Number of reflections	35235
<I/σ(I)>	14.5
Completeness [%]	88.7	79.6	90.6
Redundancy	4.3	4.5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	0.2M ammonium acetate, 20-28% PEG 4000, 0.1M Na-citrate, pH 5.6, vapor diffusion, hanging drop, temperature 277K