8QJG
Crystal structure of cytochrome domain 2 from PgcA
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 | 2023-01-29 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.104, 74.101, 56.019 |
| Unit cell angles | 90.00, 103.92, 90.00 |
Refinement procedure
| Resolution | 42.960 - 1.800 |
| R-factor | 0.1773 |
| Rwork | 0.175 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.133 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.960 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.134 | 0.360 |
| Rmeas | 0.160 | 0.452 |
| Rpim | 0.085 | 0.268 |
| Total number of observations | 117486 | 4784 |
| Number of reflections | 34881 | 1925 |
| <I/σ(I)> | 5.4 | 2.1 |
| Completeness [%] | 99.6 | |
| Redundancy | 3.4 | 2.5 |
| CC(1/2) | 0.981 | 0.874 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 289 | 1:1 mixture of 10 mg per mL protein in 20 mM HEPES pH 7.8 100 mM NaCl, with 2.0 M ammonium sulfate, 5% v/v isopropanol 1.8% PEG 4000. |
