5UG1
Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain with methylsulfonyl adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-20 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 70.481, 70.481, 136.146 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.888 - 2.100 |
| R-factor | 0.1786 |
| Rwork | 0.172 |
| R-free | 0.23470 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.768 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.890 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.144 | 0.502 |
| Number of reflections | 10191 | 1005 |
| <I/σ(I)> | 11.8 | 4 |
| Completeness [%] | 98.0 | 94.6 |
| Redundancy | 13.4 | 11.39 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES:NaOH, 1.2 M Sodium Citrate Tribasic |
