6ZRH

Crystal structure of OXA-10loop24 in complex with ertapenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-05-03
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00000
Spacegroup name	P 32
Unit cell lengths	80.930, 80.930, 152.150
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.730 - 1.880
R-factor	0.1689
Rwork	0.167
R-free	0.19770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qnb
RMSD bond length	0.010
RMSD bond angle	1.744
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.730	1.980
High resolution limit [Å]	1.880	1.880
Rmerge	0.120	0.454
Rmeas	0.143	0.538
Rpim	0.076	0.282
Number of reflections	82741	12261
<I/σ(I)>	6.3	2.1
Completeness [%]	91.2	92.3
Redundancy	3	2.8
CC(1/2)	0.991	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	2.6 - 3 M ammonium sulfate and 100 mM TRIS, pH 8