3SGT
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2010-01-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.922, 68.351, 111.979 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.680 - 1.850 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sgv |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.851 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.067 | 0.502 |
| Number of reflections | 41827 | |
| <I/σ(I)> | 41.7 | |
| Completeness [%] | 99.5 | 93.4 |
| Redundancy | 8.3 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 298 | 50mM HEPES, pH 7.5, 5% PEG 4,000, vapor diffusion, hanging drop, temperature 298K |
