1KO2

VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa with an oxidized Cys (cysteinesulfonic)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2000-01-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97929
Spacegroup name	I 2 2 2
Unit cell lengths	67.180, 78.030, 80.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.450 - 2.200
Rwork	0.209
R-free	0.25100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB-ENTRY 1BVT
RMSD bond length	0.006
RMSD bond angle	25.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.850
High resolution limit [Å]	2.200 *	2.200 *
Rmerge	0.070 *	0.190 *
Number of reflections	10623 *
Completeness [%]	96.0 *	87.8 *
Redundancy	3.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	20 *	30% PEG8K, 0.2M Na acetate, 0.1M NaCac./Cac.acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.5 (mg/ml)
2	1	drop	HEPES	10 (mM)	pH7.5
3	1	drop		0.2 (M)
4	1	drop	dithiothreitol	1 (mM)
5	1	reservoir	PEG8000	30 (%)
6	1	reservoir	sodium acetate	0.2 (M)
7	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5
8	1	reservoir		10000 (nM)