Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX10.1 |
Synchrotron site | SRS |
Beamline | PX10.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 191.801, 191.801, 191.801 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.910 - 1.800 |
R-factor | 0.16448 |
Rwork | 0.164 |
R-free | 0.18032 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yfu |
RMSD bond length | 0.014 |
RMSD bond angle | 1.292 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.110 | 0.540 |
Number of reflections | 28579 | |
<I/σ(I)> | 18.2 | 4.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.5 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.8 | 0.2 M TRI-SODIUM CITRATE, PH 4.8 . |