4R0Q
Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cephalothin
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 | 68.553, 70.002, 115.233 |
Unit cell angles | 90.00, 96.76, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.18089 |
Rwork | 0.179 |
R-free | 0.21662 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n1x |
RMSD bond length | 0.014 |
RMSD bond angle | 1.689 |
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 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.085 | 0.590 |
Number of reflections | 72944 | |
<I/σ(I)> | 19.7 | 2.1 |
Completeness [%] | 99.2 | 91.7 |
Redundancy | 3.6 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M Potassium thiocyanate, 0.1 M Bis-Tris propane, 20 % PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |