6A9N
Crystal structure of KAS III from Propionibacterium acnes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-05-18 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.979 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 105.518, 105.518, 326.933 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.011 - 2.099 |
R-factor | 0.1777 |
Rwork | 0.177 |
R-free | 0.20910 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.826 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.167 | 0.061 | 0.570 |
Rmeas | 0.173 | 0.064 | 0.591 |
Rpim | 0.046 | 0.018 | 0.153 |
Total number of observations | 894357 | ||
Number of reflections | 64032 | 6923 | 6253 |
<I/σ(I)> | 8.3 | ||
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 14 | 12.5 | 14.5 |
CC(1/2) | 0.999 | 0.959 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9 | 293 | 4M potassium formate, 0.1M BIS-TRIS propane pH 9, PEG MME 2000 |