4QJG
Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin V
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 | 66.723, 70.019, 114.625 |
| Unit cell angles | 90.00, 96.93, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.850 |
| R-factor | 0.17631 |
| Rwork | 0.175 |
| R-free | 0.20568 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jbf |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.820 |
| 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 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.070 | 0.460 |
| Number of reflections | 89289 | |
| <I/σ(I)> | 17.7 | 2.7 |
| Completeness [%] | 99.8 | 97.7 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | 0.2 M NaCl, 0.1 M Bis-Tris, 25% PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
