5ZLF
CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH ligand BPH-629
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 149.344, 46.645, 215.741 |
| Unit cell angles | 90.00, 101.08, 90.00 |
Refinement procedure
| Resolution | 24.871 - 2.845 |
| R-factor | 0.2435 |
| Rwork | 0.241 |
| R-free | 0.29860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wjk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.592 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.950 |
| High resolution limit [Å] | 2.850 | 6.110 | 2.850 |
| Rmerge | 0.072 | 0.037 | 0.582 |
| Rmeas | 0.082 | 0.043 | 0.666 |
| Rpim | 0.039 | 0.021 | 0.319 |
| Total number of observations | 150953 | ||
| Number of reflections | 34599 | 3608 | 3427 |
| <I/σ(I)> | 11.6 | ||
| Completeness [%] | 99.9 | 99.1 | 100 |
| Redundancy | 4.4 | 4.1 | 4.4 |
| CC(1/2) | 0.998 | 0.802 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.3M MAGNESIUM CHLORIDE HEXAHYDRATE, 0.1M TRIS-HCL, 24%(W/V) POLYETHYLENE GLYCOL 3350 |
