3X2Z

Crystal structure of metallo-beta-lactamase in complex with nickel from Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	143.538, 143.538, 149.853
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.070 - 2.330
R-factor	0.19118
Rwork	0.191
R-free	0.20508
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.877
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.370
High resolution limit [Å]	2.330	2.330
Rmerge		0.526
Number of reflections	66863
<I/σ(I)>		7.633
Completeness [%]	99.9	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	295	55% 2-Methyl-2,4-pentanediol(MPD), pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K