Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID13 |
Synchrotron site | ESRF |
Beamline | ID13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-06-11 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.838, 77.501, 79.383 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.330 - 1.800 |
R-factor | 0.176 |
Rwork | 0.176 |
R-free | 0.20200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.330 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.104 | 0.330 |
Number of reflections | 23985 | |
<I/σ(I)> | 15.9 | 4.4 |
Completeness [%] | 98.9 | 99.7 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | PEG 20K, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |