1N1E
Crystal structure of Leishmania mexicana Glycerol-3-phosphate dehydrogenase complexed with DHAP and NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 150 |
Detector technology | CCD |
Collection date | 2002-02-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979 |
Spacegroup name | P 65 |
Unit cell lengths | 77.745, 77.745, 266.631 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 * - 1.900 |
R-factor | 0.17449 |
Rwork | 0.173 |
R-free | 0.19800 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 * |
RMSD bond angle | 1.350 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.063 | 0.306 |
Total number of observations | 793825 * | |
Number of reflections | 66338 * | |
<I/σ(I)> | 19.2 | 2.1 |
Completeness [%] | 92.3 * | 61.5 |
Redundancy | 12 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 * | 20 * | PEG 8000, ammonium sulfate, cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 30 (%(w/v)) | |
10 | 1 | drop | NAD+ | 100 (mM) | |
2 | 1 | reservoir | ammonium sulfate | 0.2 (M) | |
3 | 1 | reservoir | sodium cacodylate | 0.1 (M) | pH6.5 |
4 | 1 | drop | protein | 4 (mg/ml) | |
5 | 1 | drop | TEA | 20 (mM) | pH7.2 |
6 | 1 | drop | dithiothreitol | 4 (mM) | |
7 | 1 | drop | EDTA | 1 (mM) | |
8 | 1 | drop | Pefabloc | 0.5 (mM) | |
9 | 1 | drop | DHAP | 100 (mM) |