3NMK
Crystal structure of a zinc 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 | 99.467, 99.467, 109.544 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 86.140 - 2.800 |
| R-factor | 0.1909 |
| Rwork | 0.188 |
| R-free | 0.23330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.814 |
| 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] | 86.141 | 86.141 | 2.950 |
| High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
| Rmerge | 0.061 | 0.301 | |
| Total number of observations | 3814 | 16037 | |
| Number of reflections | 15237 | ||
| <I/σ(I)> | 17.1 | 6.8 | 1.9 |
| Completeness [%] | 100.0 | 99.8 | 99.9 |
| Redundancy | 7.7 | 7.5 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1 M Tris, 0.2 M ammonium sulfate, 30% PEG 400, 12.4 mM zinc chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
