4RA7
Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with nafcillin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.399, 70.059, 114.567 |
| Unit cell angles | 90.00, 96.97, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.940 |
| R-factor | 0.16322 |
| Rwork | 0.161 |
| R-free | 0.19901 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jbf |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.701 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.075 | 0.610 |
| Number of reflections | 79452 | |
| <I/σ(I)> | 29.3 | 2.2 |
| Completeness [%] | 99.4 | 94.4 |
| Redundancy | 4.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M Sodium Iodide, 0.1 M Bis-Tris propane, 20 % PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
