3X2Y

Crystal structure of metallo-beta-lactamase H8A 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)	1.00001
Spacegroup name	P 41 21 2
Unit cell lengths	143.883, 143.883, 149.844
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.190 - 2.670
R-factor	0.18324
Rwork	0.182
R-free	0.20707
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.909
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	2.720
High resolution limit [Å]	2.670	2.670
Number of reflections	45336
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.2	295	51% (w/v) 2-Methyl-2,4-pentanediol(MPD), pH 9.2, VAPOR DIFFUSION, SITTING DROP, temperature 295K