3S7I
Crystal structure of Ara h 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | H 3 |
| Unit cell lengths | 92.886, 92.886, 231.552 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.130 - 2.350 |
| R-factor | 0.20489 |
| Rwork | 0.203 |
| R-free | 0.24373 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s7e |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.682 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.088 | 0.628 |
| Number of reflections | 31048 | |
| <I/σ(I)> | 30.6 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 15% PEG400, 150 mM NaCl, 100 mM Na citrate pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
