Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector | RIGAKU R-AXIS IV |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 192.160, 192.160, 192.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 110.940 - 1.650 |
R-factor | 0.15173 |
Rwork | 0.151 |
R-free | 0.16244 |
Structure solution method | SIRAS |
Starting model (for MR) | NONE |
RMSD bond length | 0.015 |
RMSD bond angle | 1.424 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | SHELXCDE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.040 | 1.740 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.070 | 0.410 |
Number of reflections | 37038 | |
<I/σ(I)> | 33.7 | 7.1 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 15.7 | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.8 | 20 % (W/V) PEG 3350, 0.2 M TRI-SODIUM CITRATE, PH 4.8 |