3ZI7
STRUCTURE OF FAE SOLVED BY SAD FROM DATA COLLECTED BY DIRECT DATA COLLECTION (DDC) USING THE GROB ROBOT GONIOMETER
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-10 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.609, 108.639, 113.317 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
R-factor | 0.1244 |
Rwork | 0.123 |
R-free | 0.15951 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.020 |
RMSD bond angle | 1.881 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | SHELXCDE |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.050 | 0.080 |
Number of reflections | 52409 | |
<I/σ(I)> | 28.9 | 15.2 |
Completeness [%] | 99.2 | 94.2 |
Redundancy | 7.6 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.2 | pH 7.2 |