1ZTC

Crystal structure of a putative metallo-beta-lactamase (tm0894) from Thermotoga maritima at 2.10 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.946415, 0.979413
Spacegroup name	P 21 21 21
Unit cell lengths	89.783, 127.343, 152.224
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.600 - 2.100
R-factor	0.15855
Rwork	0.157
R-free	0.17800
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.366
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.930	29.930	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge	0.048	0.022	0.413
Number of reflections	100112
<I/σ(I)>	10.6	22.5	1.9
Completeness [%]	98.0
Redundancy	3.4	3.4	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	6.3	277	35.0% MPD, 0.1M Na,K-Phosphate, pH 6.3, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K