3M9V
X-ray Structure of a KijD3 in Complex with dTDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 277 |
| Detector technology | AREA DETECTOR |
| Collection date | 2010-02-05 |
| Detector | SIEMENS HI-STAR |
| Wavelength(s) | 1.54178 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 72.948, 82.487, 153.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.050 |
| R-factor | 0.17108 |
| Rwork | 0.168 |
| R-free | 0.22107 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | In-house MIR model |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.995 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.081 | 0.196 |
| Number of reflections | 27721 | |
| <I/σ(I)> | 10.73 | 3.5 |
| Completeness [%] | 94.2 | 80.7 |
| Redundancy | 3.49 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 1.3-1.6 M Ammonium Sulfate 10 mM dTDP-phenol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
