3SH0
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1065
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2010-06-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.765, 68.724, 112.056 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.710 - 1.840 |
| R-factor | 0.1704 |
| Rwork | 0.168 |
| R-free | 0.21110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e98 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.901 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.870 |
| High resolution limit [Å] | 1.840 | 4.990 | 1.840 |
| Rmerge | 0.065 | 0.029 | 0.642 |
| Number of reflections | 42560 | ||
| <I/σ(I)> | 8.1 | ||
| Completeness [%] | 99.3 | 99.7 | 89.2 |
| Redundancy | 10 | 10 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 50mM HEPES, pH 7.5, 5% PEG 4,000, vapor diffusion, hanging drop, temperature 298K |
