3RMT
Crystal structure of putative 5-enolpyruvoylshikimate-3-phosphate synthase from Bacillus halodurans C-125
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.856, 140.748, 193.625 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| R-factor | 0.22551 |
| Rwork | 0.222 |
| R-free | 0.28626 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rf4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.207 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.105 | 0.030 | |
| Number of reflections | 59796 | ||
| <I/σ(I)> | 6.4 | ||
| Completeness [%] | 99.7 | 100 | 96.5 |
| Redundancy | 7.1 | 7.1 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 2.0 M amm. sulfate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
