4R23
Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with dicloxacillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.611, 69.882, 114.251 |
| Unit cell angles | 90.00, 96.87, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.840 |
| R-factor | 0.15717 |
| Rwork | 0.155 |
| R-free | 0.19183 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qjg |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.744 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.870 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.080 | 0.640 |
| Number of reflections | 91253 | |
| <I/σ(I)> | 22 | 2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M Tri-Sodium Citrate, 0.1 M Tris, 15% PEG400, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
