3HL3
2.76 Angstrom Crystal Structure of a Putative Glucose-1-Phosphate Thymidylyltransferase from Bacillus anthracis in Complex with a Sucrose.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 134.425, 134.425, 85.274 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.100 - 2.760 |
| R-factor | 0.17457 |
| Rwork | 0.173 |
| R-free | 0.20573 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mc3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.546 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.089 | 0.537 |
| Number of reflections | 12153 | |
| <I/σ(I)> | 23.9 | 4.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | Protein Solution: 7.6 mg/mL, 0.25M NaCl, 0.01M Tris-HCl, pH 8.3. Screen: Classics II, drop B10, 0.8M Succinic acid, pH 7.0 Freezing solution: 25% Sucrose, 0.4M Succinic acid, pH 7.0., VAPOR DIFFUSION, SITTING DROP, temperature 295K |
