8QK0
Crystal structure of cytochrome domain 3 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 | 2023-05-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 75.564, 55.033, 37.456 |
| Unit cell angles | 90.00, 99.30, 90.00 |
Refinement procedure
| Resolution | 44.280 - 1.900 |
| R-factor | 0.2232 |
| Rwork | 0.221 |
| R-free | 0.26320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.096 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.280 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.135 | 0.631 |
| Rmeas | 0.147 | 0.702 |
| Rpim | 0.056 | 0.301 |
| Total number of observations | 81356 | 4008 |
| Number of reflections | 12027 | 760 |
| <I/σ(I)> | 8.2 | 2.3 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.8 | 5.3 |
| CC(1/2) | 0.996 | 0.842 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 1:1 mixture of 20 mg per mL protein in 20 mM HEPES 100 mM NaCl pH 7.8 with 2.3 M Na Malonate pH 7.0, 1.8% Jeffamine ED-2001 |
