3POL
2.3 Angstrom Crystal Structure of 3-deoxy-manno-octulosonate Cytidylyltransferase (kdsB) from Acinetobacter baumannii.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.702, 40.832, 56.491 |
| Unit cell angles | 90.00, 97.23, 90.00 |
Refinement procedure
| Resolution | 28.020 - 2.300 |
| R-factor | 0.18052 |
| Rwork | 0.176 |
| R-free | 0.22275 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vh1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.489 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.080 | 0.331 |
| Number of reflections | 11015 | |
| <I/σ(I)> | 15.3 | 4 |
| Completeness [%] | 98.7 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | Protein: 7mg/mL, 0.1M Sodium cloride, Tris-HCl (pH 8.3); Screen: Classics II (D7), 0.1M Bis-Tris pH 6.5, 25% (w/v) PEG 3350. , VAPOR DIFFUSION, SITTING DROP, temperature 295K |
