6ZRG

Crystal structure of OXA-10loop48 in complex with hydrolyzed doripenem

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92000
Spacegroup name	P 21 21 21
Unit cell lengths	49.563, 93.674, 126.381
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.390 - 1.740
R-factor	0.1853
Rwork	0.183
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qnc
RMSD bond length	0.011
RMSD bond angle	1.692
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]	52.390	1.830
High resolution limit [Å]	1.740	1.740
Rmerge	0.074	0.587
Rmeas	0.082	0.650
Rpim	0.035	0.276
Number of reflections	61062	8793
<I/σ(I)>	13.5	2.4
Completeness [%]	99.7	99.6
Redundancy	5.5	5.3
CC(1/2)	0.998	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	298	2.6 - 3 M ammonium sulfate and 100 mM bicine, pH 9