Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 32 |
Unit cell lengths | 171.908, 171.908, 454.592 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.992 - 4.500 |
R-factor | 0.1653 |
Rwork | 0.167 |
R-free | 0.23970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xck |
RMSD bond length | 0.029 |
RMSD bond angle | 2.298 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 4.740 |
High resolution limit [Å] | 4.500 | 4.500 |
Rmerge | 0.150 | 0.470 |
Number of reflections | 87597 | |
<I/σ(I)> | 6 | 2.3 |
Completeness [%] | 98.2 | 99.7 |
Redundancy | 2.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |