5K4Y

Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei refined to 1.77 angstroms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92001
Spacegroup name	P 21 21 2
Unit cell lengths	133.451, 278.630, 56.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.600 - 1.770
R-factor	0.1627
Rwork	0.161
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.975
Data scaling software	Aimless (0.1.26)
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.120	40.120	1.800
High resolution limit [Å]	1.770	9.720	1.770
Rmerge	0.086	0.037	0.414
Number of reflections	203411
<I/σ(I)>	12.7
Completeness [%]	99.8	98.6	99.9
Redundancy	6.2	6.5	6.3
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	0.1M tri-sodium citrate, 25% w/v PEG 4K, 0.2M sodium acetate, NAD+ (10mM)