3KPO

Crystal Structure of HLA B*4403 in complex with EEYLKAWTF, a mimotope

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	50.870, 81.850, 109.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.930 - 2.300
R-factor	0.203
Rwork	0.200
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1syv
RMSD bond length	0.012
RMSD bond angle	1.434
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.930		2.400
High resolution limit [Å]	2.300	10.000	2.300
Rmerge	0.094	0.021	0.425
Number of reflections	21033	298	2466
<I/σ(I)>	18.9	50	4.9
Completeness [%]	99.8	97.1	99.7

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