4F6Z

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	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	77
Detector technology	IMAGE PLATE
Collection date	2010-01-07
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	50.031, 59.774, 83.552
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.240 - 2.000
R-factor	0.2013
Rwork	0.199
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f6h
RMSD bond length	0.015
RMSD bond angle	1.044
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.240	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.057	0.311
Number of reflections	15635
<I/σ(I)>	11.2	3.1
Completeness [%]	89.2	93
Redundancy	4.04	3.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	25 mMTris-HCl containing 1 mM zinc sulfate at pH 7.0, and 25 mMTris-HCl with 1 mM zinc chloride at pH 7.0, and the mother liquor which consisted of 0.1 M tri-sodium citrate (pH 5.5) in 40% PEG 600., VAPOR DIFFUSION, HANGING DROP, temperature 293K