7ZTI
F61V Cytochrome c prime beta from Methylococcus capsulatus (Bath): CO Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-16 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97623 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 105.443, 105.443, 105.443 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.780 - 2.090 |
| R-factor | 0.2034 |
| Rwork | 0.201 |
| R-free | 0.24320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hih |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.252 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 52.780 | 52.720 | 2.150 |
| High resolution limit [Å] | 2.090 | 9.110 | 2.090 |
| Rmerge | 0.132 | 0.026 | 4.796 |
| Rmeas | 0.133 | 0.026 | 4.860 |
| Rpim | 0.021 | 0.004 | 0.787 |
| Total number of observations | 11853 | 67518 | |
| Number of reflections | 23431 | 325 | 1780 |
| <I/σ(I)> | 22.8 | 118.3 | 1 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 40.7 | 36.5 | 37.9 |
| CC(1/2) | 1.000 | 1.000 | 0.441 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 2 microlitres of 15 mg/ml protein in 0.1 M HEPES buffer, pH 7.5, mixed with with an equivalent volume of reservoir solution containing 0.01 M ZnSO4, 35% PEG 550 (v/v) and 0.1 M MES, pH 6.5. Cryoprotection in ML plus 10% glycerol |
