Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-18B |
Synchrotron site | Photon Factory |
Beamline | BL-18B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-10-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9500, 0.9806, 0.9808, 1.0 |
Spacegroup name | H 3 |
Unit cell lengths | 85.110, 85.110, 59.001 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.100 |
R-factor | 0.2468 |
Rwork | 0.245 |
R-free | 0.28951 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.727 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SOLVE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.045 | 0.267 |
Number of reflections | 9301 | |
<I/σ(I)> | 9.2 | 2.8 |
Completeness [%] | 100.0 | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | MPD, PEG6000, Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |