3NMJ
Crystal structure of a nickel mediated dimer for the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 65 |
Unit cell lengths | 99.291, 99.291, 109.317 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 85.990 - 3.100 |
R-factor | 0.1963 |
Rwork | 0.193 |
R-free | 0.23820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.742 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.990 | 85.989 | 3.270 |
High resolution limit [Å] | 3.100 | 9.800 | 3.100 |
Rmerge | 0.052 | 0.433 | |
Total number of observations | 3508 | 15850 | |
Number of reflections | 11200 | ||
<I/σ(I)> | 8 | 8.8 | 1.4 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 9.9 | 9.3 | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 30% PEG 400, 0.1 M Tris, 0.2 ammonium sulfate, 6.2 mM nickel sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |