7W7D
Heme exporter HrtBA in complex with heme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-11-25 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.74000 |
Spacegroup name | P 1 |
Unit cell lengths | 82.585, 135.026, 160.969 |
Unit cell angles | 112.49, 100.41, 93.78 |
Refinement procedure
Resolution | 49.290 - 3.400 |
R-factor | 0.2555 |
Rwork | 0.255 |
R-free | 0.28480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6LLL |
RMSD bond length | 0.003 |
RMSD bond angle | 0.452 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.290 | 3.470 |
High resolution limit [Å] | 3.270 | 3.270 |
Rmeas | 0.092 | |
Number of reflections | 187978 | 29851 |
<I/σ(I)> | 10.6 | |
Completeness [%] | 97.2 | |
Redundancy | 4 | |
CC(1/2) | 0.526 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 22% PEG 3000, 0.2 M Mg acetate, 0.2 M KCl, 0.1 M HEPES pH 7.0 |