1ZPR
E. COLI THYMIDYLATE SYNTHASE MUTANT E58Q IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Experimental procedure
| Collection date | 1995-01-09 |
| Detector | RIGAKU |
| Spacegroup name | P 63 |
| Unit cell lengths | 127.221, 127.221, 68.178 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 7.000 - 2.500 |
| R-factor | 0.152 |
| Rwork | 0.152 |
| R-free | 0.24000 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 24.600 * |
| Data reduction software | DENZO |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | |
| Rmerge | 0.085 |
| Total number of observations | 200624 * |
| Number of reflections | 23346 |
| Completeness [%] | 93.8 |
| Redundancy | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5-9 (mg/ml) | |
| 2 | 1 | drop | potassium phosphate | 20 (mM) | |
| 3 | 1 | drop | ammonium sulfate | 2.3 (M) | |
| 4 | 1 | drop | dUMP | 100 (mM) | |
| 5 | 1 | drop | CB3717 | 4.78 (mM) | |
| 6 | 1 | reservoir | beta-mercaptoethanol |
