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 |
