8JS5
Dimeric PAS domains of oxygen sensor FixL with ferric unliganded heme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 190.443, 194.147, 269.857 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.650 - 2.950 |
| R-factor | 0.2088 |
| Rwork | 0.207 |
| R-free | 0.24630 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS (20180409) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | SHELX (2018/2) |
| Refinement software | PHENIX (1.20.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.880 | 47.880 | 3.000 |
| High resolution limit [Å] | 2.950 | 16.160 | 2.950 |
| Rmerge | 0.106 | 0.024 | 1.920 |
| Rmeas | 0.113 | 0.026 | 2.048 |
| Rpim | 0.040 | 0.010 | 0.707 |
| Total number of observations | 843998 | 3856 | 41138 |
| Number of reflections | 104696 | 668 | 5000 |
| <I/σ(I)> | 15.8 | 47.5 | 1.1 |
| Completeness [%] | 99.8 | 93.6 | 97.7 |
| Redundancy | 8.1 | 5.8 | 8.2 |
| CC(1/2) | 0.999 | 1.000 | 0.466 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.5 M ammonium sulfate, 0.1 M TrisHCl |
