6CDZ
E. coli thymidylate synthase mutant I264Am
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-03-11 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.658, 80.451, 94.080 |
| Unit cell angles | 90.00, 103.50, 90.00 |
Refinement procedure
| Resolution | 17.000 - 2.400 |
| R-factor | 0.183 |
| Rwork | 0.180 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 1KCE |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.602 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.111 | 0.560 |
| Number of reflections | 16256 | 720 |
| <I/σ(I)> | 10.5 | 2.2 |
| Completeness [%] | 84.3 | 76.4 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 100 mM HEPES, 200 mM NH4Ac, 5mM DTT, 32% PEG 4000 (W/V) |
