6FM6

Crystal structure of the class C beta-lactamase TRU-1 from Aeromonas enteropelogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-20
Detector	ADSC QUANTUM 210
Wavelength(s)	0.934
Spacegroup name	P 1 21 1
Unit cell lengths	45.885, 78.345, 48.190
Unit cell angles	90.00, 106.63, 90.00

Refinement procedure

Resolution	26.430 - 1.050
R-factor	0.11513
Rwork	0.114
R-free	0.12944
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gzb
RMSD bond length	0.007
RMSD bond angle	1.476
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.350	1.110
High resolution limit [Å]	1.050	1.050
Rmerge	0.039	0.114
Rmeas	0.043	0.155
Number of reflections	141631	15018
<I/σ(I)>	18.2	4.7
Completeness [%]	93.5	68
Redundancy	3.6	1.5
CC(1/2)	0.999	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% wt/vol PEG-8000, 0.2 M ammonium sulfate and 0.1 M sodium cacodylate, pH 6.5