1D5X

X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH DIPEPTIDE MIMETIC AND SEB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	294
Detector technology	IMAGE PLATE
Collection date	1994-01-01
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	90.838, 104.252, 107.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.450
R-factor	0.242 *
Rwork	0.237
R-free	0.27200 *
RMSD bond length	0.015
RMSD bond angle	26.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.450	2.000
Rmerge	0.095
Number of reflections	38325
Completeness [%]	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5 *	20 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	PEG4000	5 (%)
3	1	reservoir	sodium acetate	10 (mM)
4	1	reservoir	ethylene glycol	2.4 (%)