6VPY
I33M (I3.2 mutant from CH103 Lineage)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-03-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97927 |
Spacegroup name | P 65 |
Unit cell lengths | 131.605, 131.605, 104.908 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.650 - 2.360 |
R-factor | 0.1872 |
Rwork | 0.185 |
R-free | 0.22320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4qhl |
RMSD bond length | 0.007 |
RMSD bond angle | 1.142 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.7.17) |
Refinement software | PHENIX (1.8.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.400 |
High resolution limit [Å] | 2.352 | 6.400 | 2.360 |
Rmerge | 0.126 | 0.041 | 0.974 |
Rmeas | 0.139 | 0.045 | 1.079 |
Rpim | 0.059 | 0.018 | 0.455 |
Number of reflections | 42614 | 2210 | 2111 |
<I/σ(I)> | 6 | ||
Completeness [%] | 99.6 | 99.8 | 99.2 |
Redundancy | 5.8 | 5.8 | 5.5 |
CC(1/2) | 0.998 | 0.504 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.5 M ammonium sulfate, 100 mM HEPES, pH 7.23, 5% PEG400 |