5W90

FEZ-1 metallo-beta-lactamase from Legionella gormanii modelled with unknown ligand

Replaces:  1JT1

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2001-04-29
Detector	MAR CCD 165 mm
Wavelength(s)	1.282760, 1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	82.120, 76.775, 44.841
Unit cell angles	90.00, 110.21, 90.00

Refinement procedure

Resolution	38.080 - 1.780
R-factor	0.1161
Rwork	0.112
R-free	0.15490
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1JT1
RMSD bond length	0.013
RMSD bond angle	1.544
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.260	1.880
High resolution limit [Å]	1.780	1.780
Rmerge	0.045	0.097
Number of reflections	45143	2235
<I/σ(I)>	14.3	8.4
Completeness [%]	92.4	61
Redundancy	3.2	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293.15	18% PEG MME5000, 0.2M ammonium sulfate, 0.1M HEPES 7.0, 0.010MM Zn chloride, 0.0108MM D-CAPTOPRIL, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K