2YNT

GIM-1-3Mol 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 CCD
Spacegroup name	P 21 21 2
Unit cell lengths	110.922, 140.658, 41.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.987 - 1.598
R-factor	0.1644
Rwork	0.162
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ddk
RMSD bond length	0.006
RMSD bond angle	1.102
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]	30.000	1.680
High resolution limit [Å]	1.600	1.600
Rmerge	0.090	0.460
Number of reflections	84988
<I/σ(I)>	0	0
Completeness [%]	98.6	90.7
Redundancy	11.8	6.5

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