7ZRW
F61V Cytochrome c prime beta from Methylococcus capsulatus (Bath)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-29 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 105.473, 105.473, 105.473 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.570 - 1.960 |
| R-factor | 0.1887 |
| Rwork | 0.187 |
| R-free | 0.21020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hih |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.060 |
| Data reduction software | DIALS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.570 | 74.570 | 2.010 |
| High resolution limit [Å] | 1.960 | 8.770 | 1.960 |
| Rmerge | 0.071 | 0.027 | 1.928 |
| Rmeas | 0.075 | 0.029 | 2.029 |
| Rpim | 0.023 | 0.010 | 0.630 |
| Total number of observations | 286736 | 2927 | 21434 |
| Number of reflections | 28359 | 355 | 2087 |
| <I/σ(I)> | 14.9 | 70.9 | 1.1 |
| Completeness [%] | 100.0 | 99.1 | 100 |
| Redundancy | 10.1 | 8.2 | 10.3 |
| CC(1/2) | 1.000 | 0.999 | 0.457 |
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, 30% PEG 550 (v/v) and 0.1 M MES, pH 6.5. Cryoprotection in ML plus 10% glycerol |
