Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-06 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97890 |
Spacegroup name | P 1 |
Unit cell lengths | 53.032, 73.265, 77.355 |
Unit cell angles | 96.64, 89.77, 111.16 |
Refinement procedure
Resolution | 14.947 - 1.952 |
R-factor | 0.2017 |
Rwork | 0.201 |
R-free | 0.22280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c9i |
RMSD bond length | 0.004 |
RMSD bond angle | 0.882 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.410 | |
Number of reflections | 72716 | |
<I/σ(I)> | 14.45 | 2.54 |
Completeness [%] | 93.1 | 73.1 |
Redundancy | 1.8 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 289 | 40% PEG 4000, 0.1M potassium chloride, 0.1M TAPS buffer |