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 |