2E98
E. coli undecaprenyl pyrophosphate synthase in complex with BPH-629
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.985, 67.757, 110.713 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| Rwork | 0.187 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jp3 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.800 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.052 | 0.444 |
| Number of reflections | 39256 | |
| <I/σ(I)> | 38.2 | 5.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 9.34 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 20% Ethylene glycol, 2-5% PEG35K, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
