4H3A
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1330
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 | 2012-03-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.975, 68.713, 111.918 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.430 - 1.980 |
| R-factor | 0.2113 |
| Rwork | 0.209 |
| R-free | 0.24860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e98 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.855 |
| 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 | 2.010 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.059 | 0.635 |
| Number of reflections | 34503 | |
| <I/σ(I)> | 39.7 | 4.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.3 | 14.2 |
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 |
