1FX3
CRYSTAL STRUCTURE OF H. INFLUENZAE SECB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-D |
Synchrotron site | APS |
Beamline | 14-BM-D |
Temperature [K] | 110 |
Detector technology | CCD |
Detector | OTHER |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 126.344, 126.344, 148.333 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.950 - 2.500 |
R-factor | 0.241 |
Rwork | 0.241 |
R-free | 0.30100 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.700 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.048 | 0.292 |
Total number of observations | 515992 * | |
Number of reflections | 42096 | |
<I/σ(I)> | 20.3 | |
Completeness [%] | 99.7 | 93.9 |
Redundancy | 12.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | Ammonium Sulfate, ethanol, PIPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 20 (mM) | |
3 | 1 | reservoir | ammonium sulfate | 2.0 (M) | |
4 | 1 | reservoir | ethanol | 10 (%(v/v)) | |
5 | 1 | reservoir | PIPES | 100 (mM) |