1Q0Q
Crystal structure of DXR in complex with the substrate 1-deoxy-D-xylulose-5-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-10 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97818 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 107.057, 122.846, 128.553 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.177 |
| Rwork | 0.174 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q0h |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.136 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.095 | 0.359 |
| Number of reflections | 61149 | |
| <I/σ(I)> | 12.6 | 2.73 |
| Completeness [%] | 94.2 | 95.3 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch under oil | 6.5 | 298 | 25% PEG3350, 200mM Li2SO4, 100mM Bis-Tris pH 6.5, Microbatch under oil, temperature 298K |
