1H5X

CRYSTAL STRUCTURE OF THE CLASS D BETA-LACTAMASE OXA-13 COMPLEXED WITH IMIPENEM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-13
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	50.220, 82.060, 125.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.900
R-factor	0.212
Rwork	0.212
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h8z
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	MOSFLM (V. 6.0)
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.056	0.446
Number of reflections	38825
<I/σ(I)>	15.9	1.3
Completeness [%]	93.8	76.4
Redundancy	3.9	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		15-17% (W/V) PEG 4000, 0.1M SODIUM CACODYLATE PH 5.0-5.5, 0.2M LITHIUM SULFATE, PROTEIN 12-15 MG/ML