6IOY
Crystal structure of Porphyromonas gingivalis acetate kinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2017-11-18 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.770, 98.472, 102.769 |
Unit cell angles | 90.00, 91.64, 90.00 |
Refinement procedure
Resolution | 53.400 - 1.940 |
R-factor | 0.1907 |
Rwork | 0.189 |
R-free | 0.21942 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2iir |
RMSD bond length | 0.011 |
RMSD bond angle | 1.370 |
Data reduction software | DIALS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.400 | 1.970 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.093 | 0.240 |
Number of reflections | 120952 | 5602 |
<I/σ(I)> | 11.9 | 5.78 |
Completeness [%] | 99.3 | 92.2 |
Redundancy | 6.5 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M lithium sulfate monohydrate, 0.1 M Tris/HCl (pH 8.5), and 24% (w/v) PEG 3350 |