6P8L
Escherichia coli Bacterioferritin Substituted with Zinc Protoporphyrin IX (Zn Absorption Edge X-ray Data)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-02 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.2822 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 207.918, 207.918, 143.046 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 92.650 - 2.100 |
| R-factor | 0.2132 |
| Rwork | 0.213 |
| R-free | 0.24020 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6p8k |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.972 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX (1.15.2_3472) |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 92.650 | 2.640 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.500 | 2.100 |
| Rmerge | 0.169 | 1.781 | 1.777 |
| Rmeas | 0.182 | 1.920 | 1.908 |
| Rpim | 0.067 | 0.712 | 0.972 |
| Number of reflections | 179257 | 15563 | 25879 |
| <I/σ(I)> | 8.2 | 1.2 | 1.1 |
| Completeness [%] | 99.8 | 99.8 | 99.9 |
| Redundancy | 7.3 | 7.2 | 7.5 |
| CC(1/2) | 0.998 | 0.737 | 0.699 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | 2.4 M sodium malonate, pH 6.0 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | 2.4 M sodium malonate, pH 6.0 |
