5B57
Inward-facing conformation of ABC heme importer BhuUV from Burkholderia cenocepacia
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 | 2014-07-21 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 110.824, 118.283, 142.747 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.539 - 2.800 |
R-factor | 0.215 |
Rwork | 0.212 |
R-free | 0.26520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | BhuUV-T |
RMSD bond length | 0.011 |
RMSD bond angle | 1.290 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.1) |
Refinement software | PHENIX (1.10.1-2155_1692: ???) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
Rmerge | 0.109 | 0.021 | 0.878 |
Rmeas | 0.117 | 0.023 | 0.951 |
Rpim | 0.041 | 0.008 | 0.354 |
Total number of observations | 355680 | ||
Number of reflections | 46529 | ||
<I/σ(I)> | 7 | ||
Completeness [%] | 99.1 | 99.5 | 92.5 |
Redundancy | 7.6 | 7.6 | 5.9 |
CC(1/2) | 1.000 | 0.732 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9.5 | 277 | 30% PEG 400, 0.1M CAPSO, 0.1M NaCl, 0.1M Li2SO4 |