7DCL
Crystal structure of the Zn-directed tetramer of the engineered cyt cb 562 variant, C96I/A38S AB5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 11C |
| Synchrotron site | PAL/PLS |
| Beamline | 11C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-11 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 53.408, 53.408, 251.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.530 - 2.450 |
| R-factor | 0.2001 |
| Rwork | 0.197 |
| R-free | 0.25630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qi5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.352 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.550 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.450 | 6.650 | 2.450 |
| Rmerge | 0.097 | 0.177 | |
| Rmeas | 0.120 | 0.099 | 0.180 |
| Rpim | 0.021 | 0.019 | 0.029 |
| Total number of observations | 296066 | ||
| Number of reflections | 14826 | 543 | 400 |
| <I/σ(I)> | 88.55 | ||
| Completeness [%] | 99.9 | 99.8 | 100 |
| Redundancy | 34.2 | 26.9 | 37.3 |
| CC(1/2) | 0.997 | 0.994 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 21% Polyethylene glycol (PEG) 400, bis-tris, ammonium acetate |
