4H3C
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-987
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] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.333, 69.103, 111.686 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.430 - 1.930 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e98 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.092 |
| 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 | 1.960 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.083 | 0.637 |
| Number of reflections | 37169 | |
| <I/σ(I)> | 34.2 | 6.6 |
| Completeness [%] | 99.3 | 99.1 |
| Redundancy | 14.6 | 14.4 |
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 |
