Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-03 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.007829 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.290, 144.420, 312.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.018 - 3.500 |
R-factor | 0.2888 |
Rwork | 0.287 |
R-free | 0.32390 |
Structure solution method | SIRAS |
RMSD bond length | 0.003 |
RMSD bond angle | 0.873 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | autoSHARP |
Refinement software | PHENIX (dev_2376) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 3.600 | |
High resolution limit [Å] | 3.500 | 30.000 | 3.500 |
Rmerge | 0.154 | 0.053 | 0.849 |
Number of reflections | 49499 | ||
<I/σ(I)> | 8.67 | 19.08 | 1.83 |
Completeness [%] | 99.8 | 26.4 | 99.9 |
Redundancy | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | PEG 400, Sucrose, KCl, C12E8, Cymal-5, DDM, MES pH 6.0 |