1W7F

Crystal structure of the class A beta-lactamase BS3 inhibited with isocitrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-10
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	46.896, 104.655, 63.766
Unit cell angles	90.00, 94.33, 90.00

Refinement procedure

Resolution	19.880 - 1.800
R-factor	0.208
Rwork	0.208
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i2s
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.200	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.060	0.260
Number of reflections	52953
<I/σ(I)>	10	2.6
Completeness [%]	93.7	85.4
Redundancy	3.9	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1