4F6H

Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-b-lactamase active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	77
Detector technology	CCD
Collection date	2009-10-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 21 21 21
Unit cell lengths	50.016, 60.499, 84.287
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.249 - 1.744
R-factor	0.1974
Rwork	0.196
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ddk
RMSD bond length	0.013
RMSD bond angle	0.987
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.250	1.810
High resolution limit [Å]	1.740	1.740
Rmerge	0.036	0.306
Number of reflections	26059
Completeness [%]	97.5	89.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	25 mMTris-HCl containing 1 mM zinc sulfate at pH 7.0, and mother liquor containing 0.8M di-sodium hydrogen phosphate, 0.8 M di-potassium hydrogen phosphate, and 0.1 M HEPES at pH 7.5., VAPOR DIFFUSION, HANGING DROP, temperature 293K