2VBU
Riboflavin kinase Mj0056 from Methanocaldococcus jannaschii in complex with CDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | I 41 |
| Unit cell lengths | 104.845, 104.845, 32.802 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.163 |
| Rwork | 0.161 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vbt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.551 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.150 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.050 | 0.470 |
| Number of reflections | 20274 | |
| <I/σ(I)> | 23.1 | 4.35 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 7.82 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 35% V/V MPD, 100 MM IMIDAZOLE |
