5FXM
Structure of FAE solved by SAD from data collected by Direct Data Collection (DDC) using the ESRF RoboDiff goniometer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-01-26 |
Detector | DECTRIS PILATUS3 2M |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 111.974, 111.974, 66.031 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 79.180 - 1.990 |
R-factor | 0.19071 |
Rwork | 0.190 |
R-free | 0.19739 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.015 |
RMSD bond angle | 1.723 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | SHELXDE |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.900 | 1.980 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.080 | 0.640 |
Number of reflections | 32088 | |
<I/σ(I)> | 19.3 | 1.1 |
Completeness [%] | 98.3 | 83.8 |
Redundancy | 24.5 | 22.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |