2VF3
Aquifex aeolicus IspE in complex with ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-17 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 137.318, 137.318, 137.318 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 97.130 - 2.200 |
| R-factor | 0.23 |
| Rwork | 0.227 |
| R-free | 0.27600 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.585 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.690 |
| Number of reflections | 43998 | |
| <I/σ(I)> | 19.4 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.2 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
