4H2O
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1248
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 | 2012-04-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.377, 68.372, 109.938 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.480 - 2.140 |
| R-factor | 0.2348 |
| Rwork | 0.232 |
| R-free | 0.29510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qas |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.920 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.082 | 0.594 |
| Number of reflections | 26986 | |
| <I/σ(I)> | 30.7 | 5.3 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 13.8 | 13.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 5% PEG4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
