Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-08-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 211.210, 56.750, 65.450 |
Unit cell angles | 90.00, 107.43, 90.00 |
Refinement procedure
Resolution | 31.240 - 2.150 |
R-factor | 0.224 |
Rwork | 0.223 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gag |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | HKL |
Data scaling software | SCALEPACK |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.351 | 43.351 | 2.130 |
High resolution limit [Å] | 2.020 | 6.390 | 2.020 |
Rmerge | 0.018 | 0.696 | |
Rmeas | 0.044 | ||
Rpim | 0.024 | ||
Total number of observations | 163718 | ||
Number of reflections | 48444 | ||
<I/σ(I)> | 14.9 | 27.8 | 1.1 |
Completeness [%] | 99.3 | 98.8 | 99.1 |
Redundancy | 3.4 | 3.2 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | PEG 10000, (NH4)2SO4, BIS-TRIS |