8T6H
X-ray crystal structure of PfA-M1(E319A)
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 | 2014-07-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.960, 109.150, 117.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.792 - 1.981 |
R-factor | 0.1951 |
Rwork | 0.193 |
R-free | 0.24260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.775 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.792 | 2.270 |
High resolution limit [Å] | 1.981 | 2.200 |
Rmerge | 0.212 | 1.071 |
Rmeas | 0.229 | 1.159 |
Rpim | 0.086 | 0.439 |
Total number of observations | 28461 | |
Number of reflections | 67382 | 4241 |
<I/σ(I)> | 8 | 2 |
Completeness [%] | 100.0 | |
Redundancy | 6.9 | 6.7 |
CC(1/2) | 0.991 | 0.628 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG8000, MgCl2, glycerol, Tris |