4N1X
Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with penicillin G
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 | 2013-08-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.623, 70.141, 115.344 |
| Unit cell angles | 90.00, 96.39, 90.00 |
Refinement procedure
| Resolution | 29.930 - 2.000 |
| R-factor | 0.20153 |
| Rwork | 0.200 |
| R-free | 0.23684 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jbf |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.941 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.190 |
| Number of reflections | 70573 | |
| <I/σ(I)> | 26.2 | 9.2 |
| Completeness [%] | 96.0 | 99.3 |
| Redundancy | 3.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.085 M MES, 10.2% (w/v) PEG 20000, 10 % (w/v) Glycerol, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
