5K50
Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ and L-allo-threonine refined to 2.23 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 | 2013-10-06 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9200 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 133.030, 273.060, 55.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.090 - 2.260 |
R-factor | 0.211 |
Rwork | 0.207 |
R-free | 0.28080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.649 |
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] | 31.090 | 28.800 | 2.340 |
High resolution limit [Å] | 2.260 | 12.600 | 2.260 |
Rmerge | 0.151 | 0.203 | 0.403 |
Number of reflections | 154520 | ||
<I/σ(I)> | 5.6 | ||
Completeness [%] | 90.4 | 91.8 | 92.5 |
Redundancy | 1.9 | 2 | 1.9 |
CC(1/2) | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.1M tri-sodium citrate, 30% w/v PEG 4K, 0.2M ammonium acetate, NAD+ (10mM), L-allo-threonine (30mM) |