2F4L

Crystal structure of a putative acetamidase (tm0119) from thermotoga maritima msb8 at 2.50 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.89194, 0.97936
Spacegroup name	P 21 21 21
Unit cell lengths	80.257, 104.068, 154.945
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.700 - 2.500
Rwork	0.192
R-free	0.24200
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.269
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.700	29.700	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.137	0.042	0.923
Number of reflections	45660
<I/σ(I)>	4.8	11.5	0.7
Completeness [%]	99.9
Redundancy	3.7	3.2	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	7.5	277	10.0% Glycerol, 5.0% PEG-3000, 30.0% PEG-400, 0.1M Citrate, pH 7.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K