2CEL

ACTIVE-SITE MUTANT E212Q DETERMINED AT PH 6.0 WITH NO LIGAND BOUND IN THE ACTIVE SITE

Experimental procedure

Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1995-02-23
Detector	RIGAKU
Spacegroup name	P 21 21 2
Unit cell lengths	84.000, 86.200, 111.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.500 - 2.000
R-factor	0.184
Rwork	0.184
R-free	0.20800
RMSD bond length	0.006
RMSD bond angle	1.100 *
Data reduction software	DENZO
Data scaling software	CCP4
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.600	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.067	0.205
Total number of observations	325254 *
Number of reflections	54942
<I/σ(I)>	8.1	3.4
Completeness [%]	99.3	97.7
Redundancy	6	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6		4.5 MM MES PH 6.0, 4.5% MONOMETHYL ETHER PEG 5000, 4.5 MM CACL2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	drop	MES	4.5 (mM)
3	1	drop	mPEG5000	4.5 (%(w/v))
4	1	drop		4.5 (mM)
5	1	reservoir		0.2 (M)