1I4G

Crystal structure of Staphylococcal enterotoxin A mutant H187A with reduced Zn2+ affinity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1996-07-17
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	73.660, 84.830, 86.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
Rwork	0.178
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1esf
RMSD bond length	0.017
RMSD bond angle	24.600 *
Data reduction software	AUTOMAR
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.300
High resolution limit [Å]	2.100	2.100
Rmerge	0.070	0.250
Total number of observations	158044 *
Number of reflections	30705
<I/σ(I)>	14.2	1.6
Completeness [%]	95.2	92.7
Redundancy	5.1	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8 *	298	drop was mixed with an equal volume of reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	tricine	20 (mM)
3	1	reservoir	PEG8000	15 (%(w/v))
4	1	reservoir		200 (mM)
5	1	reservoir	PIPES	100 (mM)