3VVB
Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE from Staphylococcus aureus in apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 125.180, 125.180, 101.790 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.050 - 2.800 |
| R-factor | 0.23777 |
| Rwork | 0.236 |
| R-free | 0.27560 |
| Starting model (for MR) | 4g5h |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.363 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 108.409 | 34.054 | 2.950 |
| High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
| Rmerge | 0.047 | 0.801 | |
| Rmeas | 0.050 | 0.855 | |
| Rpim | 0.018 | 0.296 | |
| Total number of observations | 3028 | 14253 | |
| Number of reflections | 12014 | ||
| <I/σ(I)> | 12.6 | 32.8 | 2.9 |
| Completeness [%] | 99.7 | 96.1 | 100 |
| Redundancy | 8 | 7 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Sodium succinate, Potassium formate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
