8T7P
X-ray crystal structure of PfA-M1(M462S)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.010, 108.930, 117.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.369 - 2.000 |
R-factor | 0.2069 |
Rwork | 0.205 |
R-free | 0.24290 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.567 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.370 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.271 | 1.791 |
Rmeas | 0.295 | 1.962 |
Rpim | 0.113 | 0.786 |
Total number of observations | 430454 | 26220 |
Number of reflections | 65665 | 4527 |
<I/σ(I)> | 6.7 | 1 |
Completeness [%] | 99.8 | |
Redundancy | 6.6 | 5.8 |
CC(1/2) | 0.984 | 0.320 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 8000, magnesium chloride, glycerol, tris |