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 |