1I32
LEISHMANIA MEXICANA GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH INHIBITORS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-04-16 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 80.385, 394.105, 70.963 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.600 |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.280 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.650 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.066 | 0.289 |
Total number of observations | 407373 * | |
Number of reflections | 65878 | |
<I/σ(I)> | 29.3 | |
Completeness [%] | 94.0 | 71.7 |
Redundancy | 6.18 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.25 | 298 | PEG1000, 100mM TEA, 250mM NaCl, 5mM DTT, 1mM PMSF 15mM HEPES, pH 7.25, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 6 (mg/ml) | |
2 | 1 | drop | HEPES | 15 (mM) | |
3 | 1 | drop | 250 (mM) | ||
4 | 1 | drop | dithiothreitol | 5 (mM) | |
5 | 1 | drop | PMSF | 1 (mM) | |
6 | 1 | drop | inhibitor solution | 34 (mM) | |
7 | 1 | reservoir | PEG1000 | 28 (%(w/v)) | |
8 | 1 | reservoir | TEA | 100 (mM) |