5UFY
Structure of Streptococcus pneumoniae peptidoglycan O-acetyltransferase A (OatA) C-terminal catalytic domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.08 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 70.203, 70.203, 135.577 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.051 - 1.120 |
| R-factor | 0.1508 |
| Rwork | 0.150 |
| R-free | 0.16810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.939 |
| 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] | 50.000 | 1.160 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rmerge | 0.053 | 0.344 |
| Number of reflections | 65286 | |
| <I/σ(I)> | 64.2 | 13.2 |
| Completeness [%] | 99.1 | 97.6 |
| Redundancy | 15.2 | 13.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 293 | 1.8 M NaH2PO4/K2HPO4 |
