3LRJ
Crystal structure of 3,4-Dihydroxy-2-butanone 4-phosphate synthase in complex with sulfate ion.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97869 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.370, 50.530, 76.200 |
| Unit cell angles | 75.92, 85.88, 76.19 |
Refinement procedure
| Resolution | 48.909 - 2.803 |
| R-factor | 0.2123 |
| Rwork | 0.209 |
| R-free | 0.27460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g57 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.055 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.089 | 0.290 |
| Number of reflections | 15424 | |
| <I/σ(I)> | 7.2 | 2.6 |
| Completeness [%] | 88.7 | 88.8 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 30% PEG 8000, 100mM MES, 0.2M Ammonium sulphate., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
