1P33
Pteridine reductase from Leishmania tarentolae complex with NADPH and MTX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-11-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.301, 96.103, 195.545 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.860 |
| Rwork | 0.213 |
| R-free | 0.24900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e7w |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.930 * |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 300.000 | 2.910 |
| High resolution limit [Å] | 2.860 | 2.860 |
| Rmerge | 0.074 | 0.395 * |
| Total number of observations | 215242 * | |
| Number of reflections | 40939 * | |
| <I/σ(I)> | 9.9 | 4.4 |
| Completeness [%] | 96.1 * | 90 |
| Redundancy | 5.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 287 | 28% 1,4-butandiol, 12.5mM CTMC, 100mM Hepes, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH7.0 |
| 3 | 1 | drop | NADPH | 4 (mM) | |
| 4 | 1 | drop | methotrexate | 4 (mM) | |
| 5 | 1 | drop | MOPS | 10 (mM) | pH7.0 |
| 6 | 1 | reservoir | 1,4-butanediol | 28 (%) | |
| 7 | 1 | reservoir | CTMC | 12.5 (mM) | |
| 8 | 1 | reservoir | HEPES | 100 (mM) | pH7.0 |
