Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 95 |
Detector technology | CCD detector |
Collection date | 2004-12-04 |
Detector | Dual Quantum 4 |
Wavelength(s) | 0.9186 |
Spacegroup name | I 21 3 |
Unit cell lengths | 128.039, 128.039, 128.039 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.270 - 2.200 |
Rwork | 0.218 |
R-free | 0.27600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1akm |
RMSD bond length | 0.006 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.066 | 0.460 |
Number of reflections | 17844 | |
<I/σ(I)> | 28.5 | 4.8 |
Completeness [%] | 99.7 | 100 |
Redundancy | 9.8 | 10.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 6 | 291 | Lithium sulfate, Bis-tris, PEG3350, pH 6.0, hanging drop, temperature 291K |