Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-11 |
Detector | ADSC QUANTUM 1 |
Wavelength(s) | 0.9762 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.368, 60.664, 118.254 |
Unit cell angles | 90.00, 102.93, 90.00 |
Refinement procedure
Resolution | 45.982 - 2.200 |
Rwork | 0.199 |
R-free | 0.24940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | internal modle |
RMSD bond length | 0.010 |
RMSD bond angle | 1.679 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.050 | 0.670 |
Number of reflections | 34961 | 4068 |
<I/σ(I)> | 16.2 | |
Completeness [%] | 99.2 | |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20mM Tris pH 8.0, 5mM DTT, 100mM NaCl , 2mM EDTA |