7S5O
Crystal structure of Cytochrome c' beta from Nitrosomonas europaea ATCC 19718
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-03-11 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.790, 88.170, 75.850 |
Unit cell angles | 90.00, 101.62, 90.00 |
Refinement procedure
Resolution | 35.940 - 1.800 |
R-factor | 0.1561 |
Rwork | 0.155 |
R-free | 0.19010 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | CRANK2 |
Refinement software | PHENIX (1.19) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.074 | 0.031 | 0.355 |
Rmeas | 0.083 | 0.034 | 0.429 |
Number of reflections | 48663 | 575 | 2968 |
<I/σ(I)> | 14.69 | 35.04 | 2.91 |
Completeness [%] | 97.5 | 98.1 | 80.4 |
Redundancy | 4.8 | 4.72 | 3.1 |
CC(1/2) | 0.998 | 0.999 | 0.865 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.77 | 287 | Calibre Anatrace Top96 screen, condition #30 optimization screen: 100mM sodium acetate HCl pH 4.77, 2245mM ammonium sulfate) + 100mM sodium malonate pH 7.0; NieuA.20425.a.K12.PB00109 at 10mg/ml, tray: 319288 F8; cryo: 7ul reservoir + 14ul 4M ammonium sulfate, 60sec soak; puck hyq3-1, For phasing: Anatrace Top96 screen, optimization screen around condition #30: 100mM Sodium acetate / HCl pH 5.0, 2245mM ammonium sulfate NieuA.20425.a.K12.PB00109 at 10mg/ml; tray: 318611 h8; puck rwi1-1. 3x 360deg were collected at the in-house system at Cu-Kalpha, 1.5418A |
1 | VAPOR DIFFUSION, SITTING DROP | 4.77 | 287 | Calibre Anatrace Top96 screen, condition #30 optimization screen: 100mM sodium acetate HCl pH 4.77, 2245mM ammonium sulfate) + 100mM sodium malonate pH 7.0; NieuA.20425.a.K12.PB00109 at 10mg/ml, tray: 319288 F8; cryo: 7ul reservoir + 14ul 4M ammonium sulfate, 60sec soak; puck hyq3-1, For phasing: Anatrace Top96 screen, optimization screen around condition #30: 100mM Sodium acetate / HCl pH 5.0, 2245mM ammonium sulfate NieuA.20425.a.K12.PB00109 at 10mg/ml; tray: 318611 h8; puck rwi1-1. 3x 360deg were collected at the in-house system at Cu-Kalpha, 1.5418A |