5K4W
Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NADH and L-threonine refined to 1.72 angstroms
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 83.450, 136.120, 55.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.140 - 1.720 |
R-factor | 0.1545 |
Rwork | 0.152 |
R-free | 0.19760 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 2.104 |
Data scaling software | Aimless (0.1.27) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.320 | 46.320 | 1.760 |
High resolution limit [Å] | 1.720 | 7.690 | 1.720 |
Rmerge | 0.094 | 0.044 | 0.765 |
Number of reflections | 67909 | ||
<I/σ(I)> | 11 | ||
Completeness [%] | 99.5 | 97.2 | 100 |
Redundancy | 6.4 | 5.3 | 6.6 |
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2M sodium acetate, 0.1M Tris, 30% w/v PEG 4000, NADH (10mM), L-Threonine (30mM) |