3R2L
1.85A resolution structure of Iron Soaked FtnA from Pseudomonas aeruginosa (pH 7.5)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-28 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0000 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 172.520, 172.520, 172.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.008 - 1.850 |
R-factor | 0.1817 |
Rwork | 0.179 |
R-free | 0.22800 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3r2h |
RMSD bond length | 0.017 |
RMSD bond angle | 1.420 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.064 | 0.805 |
Number of reflections | 19357 | |
<I/σ(I)> | 33.453 | 2.192 |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.5 | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 20% (v/v) 1,4-butanediol, 100 mM HEPES, 200 mM NaCl, pH 7.5, vapor diffusion, temperature 293K |