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 | 191.717, 191.717, 191.717 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.980 - 1.800 |
R-factor | 0.16289 |
Rwork | 0.162 |
R-free | 0.17870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yfu |
RMSD bond length | 0.021 |
RMSD bond angle | 1.667 |
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] | 47.930 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.080 | 0.480 |
Number of reflections | 28437 | |
<I/σ(I)> | 21.9 | 5.4 |
Completeness [%] | 99.8 | 100 |
Redundancy | 10.4 | 10.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.4 | 0.5 M AMMONIUM SULPHATE IN 0.1 M NA/HEPES, PH 7.4, CONTAINING 30% 2-METHYL-2,4-PENTANEDIOL. |