3V8H
Crystal structure of Thymidylate Synthase from Burkholderia thailandensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.060, 107.690, 117.240 |
| Unit cell angles | 90.00, 98.06, 90.00 |
Refinement procedure
| Resolution | 49.510 - 1.650 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tis |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.506 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.510 | 1.690 | |
| High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
| Rmerge | 0.061 | 0.026 | 0.530 |
| Number of reflections | 166030 | 1880 | 11735 |
| <I/σ(I)> | 14.95 | 37.9 | 2.5 |
| Completeness [%] | 95.3 | 92.7 | 91.4 |
| Redundancy | 4.82 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | Internal tracking number 225920_a2. JCSG well A2. 0.1M Ammonium Citric / Citric Acid pH 5.5, 20% w/v PEG 3,000, 25% Ethylene Glycol as Cryo. Protein ButhA.01181.a.A1 PS01191 51.93mg/ml., vapor diffusion, sitting drop, temperature 290K |
