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 |