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 |