2YNW

GIM-1-2Mol native. Crystal structures of Pseudomonas aeruginosa GIM- 1: active site plasticity in metallo-beta-lactamases

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Spacegroup name	P 1 21 1
Unit cell lengths	40.160, 135.534, 38.541
Unit cell angles	90.00, 90.83, 90.00

Refinement procedure

Resolution	19.861 - 1.700
R-factor	0.1685
Rwork	0.167
R-free	0.19860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ddk
RMSD bond length	0.013
RMSD bond angle	1.318
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.040	0.380
Number of reflections	45053
<I/σ(I)>	0	2.7
Completeness [%]	93.8	99
Redundancy	3.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.1M TRIS PH 7.1, 21% POLYETHYLENE GLYCOL MONOMETHYL ETHER 2000 (PEG MME 2K), 4% GLYCEROL