4R1G
Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cloxacillin
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 | 67.520, 69.889, 114.304 |
| Unit cell angles | 90.00, 97.08, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.920 |
| R-factor | 0.17176 |
| Rwork | 0.170 |
| R-free | 0.20603 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4n1x |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.656 |
| 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 | 1.960 |
| High resolution limit [Å] | 1.920 | 1.930 |
| Rmerge | 0.076 | 0.430 |
| Number of reflections | 79988 | |
| <I/σ(I)> | 18.1 | 2.7 |
| Completeness [%] | 99.9 | 98.8 |
| Redundancy | 3.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 M Bis-Tris, 20% PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
