8I57
Uroporphyrin III (UPIII)-bound CfbA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 41 |
Unit cell lengths | 68.220, 68.220, 82.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.350 - 2.810 |
R-factor | 0.2087 |
Rwork | 0.207 |
R-free | 0.23640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 2.735 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.18.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.910 |
High resolution limit [Å] | 2.810 | 10.000 | 2.810 |
Rmerge | 0.041 | 0.013 | 0.950 |
Rmeas | 0.046 | 0.015 | 1.074 |
Number of reflections | 9294 | 217 | 909 |
<I/σ(I)> | 23.62 | ||
Completeness [%] | 99.9 | ||
Redundancy | 4.5 | ||
CC(1/2) | 1.000 | 1.000 | 0.567 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293 | 0.3M Na-malonate, 0.1M Tris-HCl, 8% (w/v) Gamma-PGA |