6X7Q
Chloramphenicol acetyltransferase type III in complex with chloramphenicol and acetyl-oxa(dethia)-CoA
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] | 80 |
Detector technology | CCD |
Collection date | 2019-04-05 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 106.918, 106.918, 126.596 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.330 - 1.680 |
R-factor | 0.1612 |
Rwork | 0.159 |
R-free | 0.20130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cla |
RMSD bond length | 0.010 |
RMSD bond angle | 1.677 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.147 | 1.261 |
Rmeas | 0.152 | 1.308 |
Rpim | 0.040 | 0.343 |
Number of reflections | 84122 | 8292 |
<I/σ(I)> | 23.5 | 1.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.5 | 14.3 |
CC(1/2) | 0.998 | 0.813 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 100 mM magnesium chloride, 100 mM sodium citrate:citric acid, pH 5.5, 46% PEG400 |