1VP4

Crystal structure of a putative aminotransferase (tm1131) from thermotoga maritima msb8 at 1.82 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-08-04
Detector	ADSC
Spacegroup name	P 65
Unit cell lengths	165.125, 165.125, 68.701
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.410 - 1.820
R-factor	0.18022
Rwork	0.179
R-free	0.20341
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.553
Data reduction software	XDS
Data scaling software	SCALA (4.2))
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.410	1.920
High resolution limit [Å]	1.820	1.820
Number of reflections	94227
<I/σ(I)>	13.8	2.2
Completeness [%]	98.2	89.3
Redundancy	4.8	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	20.0% PEG-3350, 0.2M NaFormate, 2.0mM n-Dodecyl-beta-D-maltoside, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	20.0% PEG-3350, 0.2M NaFormate, 2.0mM n-Dodecyl-beta-D-maltoside, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	20.0% PEG-3350, 0.2M NaFormate, 2.0mM n-Dodecyl-beta-D-maltoside, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K