Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 177 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 163.970, 178.930, 320.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 4.250 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.370 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 4.520 |
High resolution limit [Å] | 4.250 | 4.250 |
Rmerge | 0.076 | 0.353 |
Number of reflections | 63778 | |
<I/σ(I)> | 13.4 | 2.1 |
Completeness [%] | 99.3 | 99.6 |
Redundancy | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG 3350, AMMONIUM FLUORIDE, DTT, HEPES BUFFER, pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K |