1NUL

XPRTASE FROM E. COLI

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	289
Detector technology	IMAGE PLATE
Collection date	1995-05
Detector	RIGAKU
Spacegroup name	P 21 21 2
Unit cell lengths	59.200, 92.700, 53.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.800
R-factor	0.192
Rwork	0.192
R-free	0.23400
Structure solution method	MULTIPLE ISOMORPHOUS REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	25.000 *
Data reduction software	PROCESS ((HIGASHI))
Data scaling software	PROCESS ((HIGASHI))
Phasing software	PHASES
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.200	2.000
High resolution limit [Å]	1.800	1.800
Rmerge	0.060	0.263
Total number of observations	77524 *
Number of reflections	25622
<I/σ(I)>	14.8	3.2
Completeness [%]	92.0	81.9 *
Redundancy	3	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8		XPRT WAS CRYSTALLISED FROM 18 - 23% PEG 4000, 0.1 M LI2SO4 IN 0.1 M TRIS-HCL, PH 8., pH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	18-23 (%)
2	1	reservoir	Tris-HCl	0.1 (M)
3	1	reservoir		0.1 (M)