4FCU
1.9 Angstrom Crystal Structure of 3-deoxy-manno-octulosonate Cytidylyltransferase (kdsB) from Acinetobacter baumannii without His-Tag Bound to the Active Site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.542, 40.155, 54.710 |
| Unit cell angles | 90.00, 103.60, 90.00 |
Refinement procedure
| Resolution | 29.520 - 1.900 |
| R-factor | 0.18999 |
| Rwork | 0.187 |
| R-free | 0.24233 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pol |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.415 |
| 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 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.091 | 0.490 |
| Number of reflections | 18315 | |
| <I/σ(I)> | 13.3 | 2.5 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | Protein: 7.4mG/mL, 0.25M Sodium cloride, Tris-HCl (pH 8.3), Screen: JCSG+ (H8), 0.2M Sodium chloride, 0.1M Bis-Tris pH 5.5, 25% (w/v) PEG 3350., VAPOR DIFFUSION, SITTING DROP, temperature 295K |
