Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 77 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 65 |
Unit cell lengths | 262.288, 262.288, 90.630 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.800 |
R-factor | 0.17522 |
Rwork | 0.173 |
R-free | 0.22548 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cww |
RMSD bond length | 0.022 |
RMSD bond angle | 1.950 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.110 | 0.340 |
Number of reflections | 82996 | |
<I/σ(I)> | 13.5 | 2 |
Completeness [%] | 98.4 | 99.4 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |