Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-28 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.213 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 45.139, 133.513, 185.137 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.550 |
R-factor | 0.23 |
Rwork | 0.227 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mjs |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.791 | |
Number of reflections | 18174 | |
<I/σ(I)> | 2.2 | |
Completeness [%] | 97.2 | 97.3 |
Redundancy | 6 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |