4GEV
E. coli thymidylate synthase Y209W variant in complex with substrate and a cofactor analog
Replaces: 2G8MExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 103 |
| Detector technology | CCD |
| Collection date | 2002-10-02 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 63 |
| Unit cell lengths | 125.778, 125.778, 66.938 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.834 - 1.300 |
| R-factor | 0.1279 |
| Rwork | 0.127 |
| R-free | 0.15120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.348 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.834 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.080 | 0.823 |
| Number of reflections | 146991 | |
| <I/σ(I)> | 25.1 | 1.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | vapor diffusion against 1.44 M Sodium citrate, HEPES from 5.2 mg/ml protein solution containing 17mM kPO4, DTT, 3.3 mM dUMP, 3.3 mM CB3717 and either 0.5% ethylacetate or 4% N-propanol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
