6EEE
X-ray crystal structure of Pf-M17 in complex with inhibitor (6k) and regulatory zinc ion
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 | 2016-08-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 173.680, 177.395, 229.445 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.170 - 2.300 |
R-factor | 0.196 |
Rwork | 0.193 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.098 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.9) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.880 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.253 | 1.512 |
Number of reflections | 311885 | |
<I/σ(I)> | 5.9 | |
Completeness [%] | 99.8 | 99.5 |
Redundancy | 5.8 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 30% PEG400, 0.2M Li2SO4, 0.1M Tris pH 8 |