6MFL
Structure of siderophore binding protein BauB bound to a complex between two molecules of acinetobactin and ferric iron.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 113 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.762, 137.055, 56.208 |
Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
Resolution | 56.208 - 1.900 |
R-factor | 0.1715 |
Rwork | 0.169 |
R-free | 0.21380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gfv |
RMSD bond length | 0.011 |
RMSD bond angle | 1.118 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.000 | 2.040 | 2.000 |
High resolution limit [Å] | 1.900 | 1.990 | 1.900 |
Rmerge | 0.178 | 0.581 | 0.570 |
Rmeas | 0.204 | 0.204 | |
Rpim | 0.056 | 0.450 | 0.076 |
Number of reflections | 44580 | 2610 | 37928 |
<I/σ(I)> | 11.6 | 2.2 | 6.7 |
Completeness [%] | 99.2 | 91.1 | 90.5 |
Redundancy | 7.8 | 3 | 6.4 |
CC(1/2) | 0.970 | 0.419 | 0.974 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 287 | 25% PEG MME 5k, 50 mM MES |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 287 | 25% PEG MME 5k, 50 mM MES |
2 | VAPOR DIFFUSION, HANGING DROP | 8 | 287 | 34% PEG 4k, 100 mM EPPS |