1KO3

VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa with Cys221 reduced

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-10-24
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	67.805, 78.040, 79.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.900 *
Rwork	0.209
R-free	0.25000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	VIM-2 oxidized PDB ID code 1KO2
RMSD bond length	0.007
RMSD bond angle	0.950 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.630	2.020
High resolution limit [Å]	1.900 *	1.910
Rmerge	0.050 *	0.140 *
Number of reflections	15030
<I/σ(I)>	12.6	5.4
Completeness [%]	91.0 *	50
Redundancy	3.6	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	20 *	30% PEG8K, 0.1M NaCac/Cac.acid, 0.2M Na acetate, 0.5mM TCEP, 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)