1VP5

Crystal structure of 2,5-diketo-D-gluconic acid reductase (TM1009) from Thermotoga maritima at 2.40 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-03
Detector	ADSC
Spacegroup name	P 65
Unit cell lengths	94.314, 94.314, 146.855
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.930 - 2.400
R-factor	0.15363
Rwork	0.151
R-free	0.20258
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	REFINEMENT STARTING MODEL
RMSD bond length	0.017
RMSD bond angle	1.672
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0001)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.930	2.460
High resolution limit [Å]	2.400	2.400
Number of reflections	28944
<I/σ(I)>	15.6	2.4
Completeness [%]	99.9	100
Redundancy	7.4	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	5.6	277	5.0% Glycerol, 19.0% iso-Propanol, 19.0% PEG-4000, 0.1M Citrate pH 5.6, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K