7W7B
Heme exporter HrtBA in complex with protoporphyrin IX containing manganese(III), high resolution data
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-05 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 |
Unit cell lengths | 82.001, 133.485, 159.341 |
Unit cell angles | 111.65, 99.69, 94.64 |
Refinement procedure
Resolution | 49.390 - 3.000 |
R-factor | 0.2674 |
Rwork | 0.266 |
R-free | 0.29880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6LLJ |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.390 | 49.390 | 3.170 |
High resolution limit [Å] | 2.990 | 8.850 | 2.990 |
Rmerge | 0.168 | 0.045 | 1.906 |
Rmeas | 0.197 | 0.053 | 2.219 |
Total number of observations | 878625 | ||
Number of reflections | 239883 | 9408 | 38582 |
<I/σ(I)> | 4.77 | 25.73 | 0.44 |
Completeness [%] | 97.2 | 98.3 | 96.8 |
Redundancy | 3.663 | 3.839 | 3.799 |
CC(1/2) | 0.997 | 0.998 | 0.303 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 22% PEG 3000, 0.2 M Mg acetate, 0.2 M KCl, 0.1 M HEPES pH 7.0 |