5K68
Designed Artificial Cupredoxins
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-02-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00000 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 57.690, 57.690, 183.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.900 - 1.400 |
| R-factor | 0.14351 |
| Rwork | 0.142 |
| R-free | 0.18129 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qcb |
| RMSD bond length | 0.032 |
| RMSD bond angle | 3.915 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.900 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.069 | 1.446 |
| Number of reflections | 31080 | |
| <I/σ(I)> | 12.7 | |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 6.8 | 6.6 |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 274 | 2.0 M ammonium sulfate, 0.1 M sodium acetate, pH 4 |
