3L1M
Crystal Structure of a Ni-directed Dimer of Cytochrome cb562 with a Quinolate-Histidine Hybrid Coordination Motif
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | SIEMENS |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-16 |
Detector | APEX II CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 88.440, 34.511, 46.896 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 |
R-factor | 0.27 |
Rwork | 0.266 |
R-free | 0.31400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | monomer of 2BC5 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.210 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 6761 | |
Completeness [%] | 99.0 | 95.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 100 mM Tris, 25% PEG 1500, 1.05 mM nickel(II) sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |