3NMI
Crystal structure of the phenanthroline-modified cytochrome cb562 variant, MBP-Phen2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-16 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9794 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.290, 91.787, 130.637 |
Unit cell angles | 90.00, 107.99, 90.00 |
Refinement procedure
Resolution | 43.050 - 2.010 |
R-factor | 0.2003 |
Rwork | 0.198 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.985 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 124.248 | 43.050 | 2.120 |
High resolution limit [Å] | 2.010 | 6.360 | 2.010 |
Rmerge | 0.028 | 0.237 | |
Total number of observations | 8215 | 42178 | |
Number of reflections | 65484 | ||
<I/σ(I)> | 17.2 | 22 | 1.7 |
Completeness [%] | 99.3 | 93.9 | 99.7 |
Redundancy | 4.4 | 4.1 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2.8 M sodium acetate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |