3X2X

Crystal structure of metallo-beta-lactamase H48A from Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-20
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	143.164, 143.164, 149.472
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.060 - 3.420
R-factor	0.17677
Rwork	0.173
R-free	0.20913
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.894
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.360
High resolution limit [Å]	3.300	3.300
Number of reflections	23779
Completeness [%]	98.8	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	0.1M Tris-HCl, 60% 2-Methyl-2,4-pentanediol(MPD), pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K