4TOC
2.25A resolution structure of Iron Bound BfrB (Q151L) 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 | 2010-07-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.73964 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 125.591, 203.221, 207.404 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.350 - 2.250 |
R-factor | 0.1558 |
Rwork | 0.154 |
R-free | 0.19150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3is7 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.023 |
Data scaling software | Aimless (0.1.29) |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1450)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.350 | 49.350 | 2.290 |
High resolution limit [Å] | 2.250 | 12.320 | 2.250 |
Rmerge | 0.141 | 0.078 | 0.967 |
Rpim | 0.057 | 0.032 | 0.403 |
Total number of observations | 1749112 | 11332 | 82873 |
Number of reflections | 250626 | ||
<I/σ(I)> | 12.2 | 30.9 | 2.4 |
Completeness [%] | 100.0 | 98.3 | 100 |
Redundancy | 7 | 6.7 | 6.7 |
CC(1/2) | 0.996 | 0.993 | 0.680 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 35% (v/v) MPD, 0.1M MES, 0.2M Lithium Sulfate |