3QLB
Enantiopyochelin outer membrane TonB-dependent transporter from Pseudomonas fluorescens bound to the ferri-enantiopyochelin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95024 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 155.070, 170.830, 232.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.570 - 3.260 |
| R-factor | 0.21648 |
| Rwork | 0.214 |
| R-free | 0.25880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1by3 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.079 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.570 | 3.340 |
| High resolution limit [Å] | 3.250 | 3.260 |
| Number of reflections | 48366 | |
| <I/σ(I)> | 16.11 | |
| Completeness [%] | 99.3 | 96.4 |
| Redundancy | 8.2 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 14% PEG1500, 0.1M lithium sulfate, 0.1M sodium citrate, 20% glycerol, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
