2FM1

Crystal structure of L-ALLO-threonine aldolase (tm1744) from Thermotoga maritima at 2.25 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2004-02-22
Detector	APS-1
Spacegroup name	P 21 21 21
Unit cell lengths	95.614, 100.405, 149.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.330 - 2.250
R-factor	0.146
Rwork	0.142
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jg8
RMSD bond length	0.017
RMSD bond angle	1.580
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	150.000	150.000	2.300
High resolution limit [Å]	2.250	5.550	2.250
Rmerge	0.110	0.064	0.554
Number of reflections	67017
Completeness [%]	97.0
Redundancy	7.3	14.9	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	7.5	277	0.19M CaCl2, 5.0% Glycerol, 26.6% PEG-400, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K