3FOO
A Triangular Cytochrome b562 Superstructure Mediated by Ni Coordination - Monoclinic Form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97607 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.339, 107.396, 102.051 |
Unit cell angles | 90.00, 105.52, 90.00 |
Refinement procedure
Resolution | 98.530 - 2.400 |
R-factor | 0.213 |
Rwork | 0.209 |
R-free | 0.26800 |
Starting model (for MR) | 2qla |
RMSD bond length | 0.009 |
RMSD bond angle | 1.246 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 98.533 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.096 | 0.552 |
Total number of observations | 21402 | |
Number of reflections | 55485 | |
<I/σ(I)> | 6.464 | 1.3 |
Completeness [%] | 97.2 | 97 |
Redundancy | 2.7 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 25% PEG2000, 0.2 M NaCl, 0.1 M TRIS, 3.3 mM NiCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |