5Y17
CATPO mutant - E316F
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 125.733, 120.870, 183.804 |
Unit cell angles | 90.00, 101.97, 90.00 |
Refinement procedure
Resolution | 100.510 - 2.300 |
R-factor | 0.18017 |
Rwork | 0.178 |
R-free | 0.21984 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4aum |
RMSD bond length | 0.012 |
RMSD bond angle | 1.651 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.510 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.495 | |
Rpim | 0.492 | |
Number of reflections | 163088 | 8219 |
<I/σ(I)> | 6.1 | 1.5 |
Completeness [%] | 90.2 | 92.5 |
Redundancy | 2.2 | 2.2 |
CC(1/2) | 0.996 | 0.732 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG400, Potassium chloride, Calcium chloride, Sodium cacodylate |