4KCF
X-ray Structure of a KijD3 in Complex with FMN and dTDP-3-amino-2,3,6-trideoxy-4-keto-3-methyl-D-glucose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-09 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.979 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 70.828, 81.297, 152.628 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.310 - 2.098 |
R-factor | 0.17742 |
Rwork | 0.175 |
R-free | 0.22518 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3m9v |
RMSD bond length | 0.012 |
RMSD bond angle | 2.269 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.310 | 2.180 |
High resolution limit [Å] | 2.098 | 2.098 |
Number of reflections | 23596 | |
<I/σ(I)> | 17.5 | |
Completeness [%] | 90.4 | 85.5 |
Redundancy | 5.7 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 25% pentaerythritol propoxylate 5/4 100 mM MOPS, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |