3H07
Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase from Yersinia pestis CO92
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-17 |
| Detector | SBC-3 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.907, 70.815, 62.297 |
| Unit cell angles | 90.00, 90.13, 90.00 |
Refinement procedure
| Resolution | 33.640 - 1.950 |
| R-factor | 0.2007 |
| Rwork | 0.199 |
| R-free | 0.25321 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g57 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.699 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.640 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.066 | 0.350 |
| Number of reflections | 27484 | |
| <I/σ(I)> | 17.4 | 4.2 |
| Completeness [%] | 99.3 | 99.8 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 302 | 0.2 M Lithium Sulfate, 0.1M Tris pH 8.5, 25% Peg3350, VAPOR DIFFUSION, SITTING DROP, temperature 302K |
