4G5H
Crystal structure of capsular polysaccharide synthesizing enzyme CapE from Staphylococcus aureus in complex with by-product
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 | 124.030, 124.030, 103.161 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.800 - 1.880 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.20870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.464 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.804 | 35.804 | 1.980 |
| High resolution limit [Å] | 1.880 | 5.950 | 1.880 |
| Rmerge | 0.038 | 0.887 | |
| Rmeas | 0.044 | 1.007 | |
| Rpim | 0.016 | 0.353 | |
| Total number of observations | 9431 | 42552 | |
| Number of reflections | 38463 | ||
| <I/σ(I)> | 12.5 | 43.6 | 2.4 |
| Completeness [%] | 99.9 | 97.8 | 100 |
| Redundancy | 7.6 | 7.1 | 7.7 |
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 |
