1FOF

CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	1999-05-20
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	48.400, 96.200, 125.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.790 - 2.000
R-factor	0.177
Rwork	0.177
R-free	0.20800
RMSD bond length	0.005
RMSD bond angle	22.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.057	0.147
Total number of observations	139455 *
Number of reflections	37894
<I/σ(I)>	14.8
Completeness [%]	93.4	95.4
Redundancy	3.7	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	298	ammonium sulfate, MES, Cobalt chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammp,ium sulfate	1.8 (M)
2	1	reservoir	MES	0.1 (M)
3	1	reservoir		10 (mM)