8BMX
Bacteroides thetaiotaomicron B12 TonB dependent transporter in complex with a surface lipoprotein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-19 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 280.250, 154.300, 107.510 |
| Unit cell angles | 90.00, 106.96, 90.00 |
Refinement procedure
| Resolution | 72.060 - 3.720 |
| R-factor | 0.2561 |
| Rwork | 0.253 |
| R-free | 0.31800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nqe |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.951 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.300 | 3.800 |
| High resolution limit [Å] | 3.700 | 3.700 |
| Number of reflections | 45671 | 4561 |
| <I/σ(I)> | 4.2 | |
| Completeness [%] | 99.3 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.900 | 0.300 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.08M magnesium acetate tetrahydrate, 0.1M sodium citrate pH 6.0, 14% PEG 5000 MME |
