1F28
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE FROM PNEUMOCYSTIS CARINII BOUND TO DUMP AND BW1843U89
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 137 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-03-22 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.442, 65.898, 184.938 |
| Unit cell angles | 90.00, 90.24, 90.00 |
Refinement procedure
| Resolution | 22.400 - 1.900 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.24700 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 * | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.088 | 0.523 |
| Total number of observations | 530911 * | |
| Number of reflections | 104488 * | |
| <I/σ(I)> | 14.4 | |
| Completeness [%] | 90.3 | 75.1 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 297 | PEG 8000, Tris, Ammonium sulfate, DTT, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 24K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 0.100 (mM) | |
| 2 | 1 | drop | BW1843U89 | 2 (mM) | |
| 3 | 1 | drop | dUMP | 2.2 (mM) | |
| 4 | 1 | drop | dithiothreitol | 2.2 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 14.5 (%) | |
| 6 | 1 | reservoir | ammonium sulfate | 0.25 (M) | |
| 7 | 1 | reservoir | dithiothreitol | 5 (mM) | |
| 8 | 1 | reservoir | Tris | 100 (mM) |
