3W1V
Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE from Staphylococcus aureus in complex with inihibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-25 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 123.780, 123.780, 104.460 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.800 - 2.100 |
| R-factor | 0.1662 |
| Rwork | 0.164 |
| R-free | 0.20732 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.257 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.820 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.105 | 0.338 |
| Number of reflections | 54166 | |
| <I/σ(I)> | 0.11 | 4.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.4 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 100mM HEPES/NaOH, 1.5M Li2SO4, pH 7.5, VAPOR DIFFUSION, temperature 293K |
