7YA2
Crystal structure of capsular polysaccharide synthesis enzyme CapG from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-04-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 302.909, 84.340, 145.085 |
| Unit cell angles | 90.00, 110.65, 90.00 |
Refinement procedure
| Resolution | 25.570 - 3.200 |
| Rwork | 0.183 |
| R-free | 0.24110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hwg |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.891 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.126 | |
| Number of reflections | 56178 | 5591 |
| <I/σ(I)> | 9.675 | |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 3.5 | 3.4 |
| CC(1/2) | 0.591 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M ammonium citrate tribasic pH 7.2, 18 % w/v polyethylene glycol 3350 |
