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 |