Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2007-10-27 |
Detector | PSI PILATUS 6M |
Spacegroup name | P 1 |
Unit cell lengths | 58.473, 73.206, 83.788 |
Unit cell angles | 79.83, 69.45, 88.22 |
Refinement procedure
Resolution | 48.549 - 1.836 |
R-factor | 0.1908 |
Rwork | 0.187 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bmx |
RMSD bond length | 0.017 |
RMSD bond angle | 1.611 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.549 | 1.950 |
High resolution limit [Å] | 1.836 | 1.840 |
Rmerge | 0.081 | 0.417 |
Number of reflections | 104555 | |
<I/σ(I)> | 7.55 | 1.977 |
Completeness [%] | 93.5 | 91.5 |
Redundancy | 1.985 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 291 | 0.1M SODIUM ACETATE, 27% PEG 1000, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K |