3R2O
1.95 A resolution structure of As-Isolated FtnA from Pseudomonas aeruginosa (pH 6.0)
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 | 2010-11-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.7401 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 171.339, 171.339, 171.339 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 98.920 - 1.950 |
| R-factor | 0.1912 |
| Rwork | 0.189 |
| R-free | 0.23220 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3r2h |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.482 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 98.920 | 98.920 | 2.060 |
| High resolution limit [Å] | 1.950 | 6.170 | 1.950 |
| Rmerge | 0.090 | 0.050 | 0.850 |
| Total number of observations | 19992 | 79560 | |
| Number of reflections | 16285 | ||
| <I/σ(I)> | 30.1954 | 64.02 | 4.88 |
| Completeness [%] | 100.0 | 99.92 | 100 |
| Redundancy | 36.55 | 32.14 | 34.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 293 | 35% (v/v) 2-methyl-2,4-pentanediol, 100 mM MES, 200 mM Li2SO4, pH 6.0, vapor diffusion, temperature 293K |
