5K4V
Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ refined to 2.2 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 | 2012-02-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9173 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 90.399, 131.530, 55.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.230 - 2.200 |
R-factor | 0.1661 |
Rwork | 0.163 |
R-free | 0.22540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.792 |
Data scaling software | SCALA (3.3.9) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.230 | 28.230 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.067 | 0.026 | 0.305 |
Number of reflections | 32475 | ||
<I/σ(I)> | 13.4 | ||
Completeness [%] | 96.0 | 92.1 | 95.1 |
Redundancy | 3.4 | 3.4 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1M tri-sodium citrate, 30% w/v PEG 4K, 0.2M sodium acetate, NAD+ (10mM) |