4Z9Q

Crystal structure of OXA-58 with disordered active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR-H
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-10-22
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 1 21 1
Unit cell lengths	37.360, 39.790, 72.090
Unit cell angles	90.00, 91.20, 90.00

Refinement procedure

Resolution	37.380 - 2.230
R-factor	0.1951
Rwork	0.192
R-free	0.25259
RMSD bond length	0.008
RMSD bond angle	1.315
Data reduction software	SCALA
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.380	2.314
High resolution limit [Å]	2.230	2.235
Rmerge	0.030	0.150
Number of reflections	10289
<I/σ(I)>	16.39	5.84
Completeness [%]	98.3	93.1
Redundancy	2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% PEG 1500