4TOE
2.20A resolution structure of Iron Bound BfrB (D34F) from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-11-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.73769 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 125.493, 203.403, 207.251 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.390 - 2.200 |
R-factor | 0.1513 |
Rwork | 0.149 |
R-free | 0.18740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3is7 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.985 |
Data scaling software | Aimless (0.1.29) |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: dev_1450)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.390 | 49.390 | 2.240 |
High resolution limit [Å] | 2.200 | 12.050 | 2.200 |
Rmerge | 0.078 | 0.058 | 0.284 |
Rpim | 0.034 | 0.025 | 0.214 |
Total number of observations | 1490791 | 10806 | 22776 |
Number of reflections | 257692 | ||
<I/σ(I)> | 18.1 | 41.8 | 3.4 |
Completeness [%] | 96.3 | 98.5 | 71.8 |
Redundancy | 5.8 | 6 | 2.4 |
CC(1/2) | 0.998 | 0.998 | 0.855 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 293 | 35% (v/v) MPD, 0.1M MES, 0.2M Lithium Sulfate |