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 |