1DJB

STRUCTURE OF BETA-LACTAMASE PRECURSOR, S70A MUTANT, AT 298K

Experimental procedure

Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1991-07-31
Detector	SIEMENS
Spacegroup name	I 2 2 2
Unit cell lengths	53.700, 93.300, 138.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.17
Rwork	0.170
RMSD bond length	0.020
RMSD bond angle	1.900
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.0)
Refinement software	X-PLOR (3.7)

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.100	2.100 *
Rmerge	0.092	0.327 *
Total number of observations	63813 *
Number of reflections	18843	1492 *
Completeness [%]	85.0	45 *
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	5 (mg/ml)
2	1	drop	ammonium sulfate	38-39 (%sat)
3	1	drop	PEG1000	0.2 (%(w/v))
4	1	drop		0.15 (M)
5	1	drop		0.05 (M)
6	1	reservoir	ammonium sulfate	76-78 (%sat)
7	1	reservoir	PEG1000	0.4 (%(w/v))
8	1	reservoir		0.3 (M)
9	1	reservoir		0.1 (M)