3IRQ
Crystal structure of a Z-Z junction
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2008-06-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 29.283, 99.761, 106.482 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.802 - 2.800 |
R-factor | 0.2362 |
Rwork | 0.235 |
R-free | 0.27080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qbj |
RMSD bond length | 0.003 |
RMSD bond angle | 0.692 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 106.000 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.083 | 0.256 |
Number of reflections | 7894 | |
<I/σ(I)> | 9.2 | 3.1 |
Completeness [%] | 99.0 | 92.2 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 17% PEG 2000, 0.1 M Tris-HCl, 0.2 M ammonium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |