3SGX
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1100
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2010-08-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.950, 68.135, 111.608 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.650 - 2.450 |
| R-factor | 0.2458 |
| Rwork | 0.242 |
| R-free | 0.32750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e98 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.682 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.450 | 6.650 | 2.450 |
| Rmerge | 0.092 | 0.052 | 0.451 |
| Number of reflections | 17225 | ||
| <I/σ(I)> | 10 | ||
| Completeness [%] | 96.9 | 88.5 | 90.7 |
| Redundancy | 5.7 | 5.4 | 4.7 |
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 |
