3TQD
Structure of the 3-deoxy-D-manno-octulosonate cytidylyltransferase (kdsB) from Coxiella burnetii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-15 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.752, 51.616, 78.874 |
| Unit cell angles | 90.00, 111.92, 90.00 |
Refinement procedure
| Resolution | 25.620 - 1.800 |
| R-factor | 0.19026 |
| Rwork | 0.188 |
| R-free | 0.22746 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k8d |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.653 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 23093 | |
| <I/σ(I)> | 39.4 | 2.3 |
| Completeness [%] | 97.9 | 88 |
| Redundancy | 9.9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 0.17 M ammonium acetate, 0.085 M Na citrate, 25.5% PEG 4000, 15% glycerol, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
