6AWR
Structure of PR 10 Allergen Ara h 8.01 in complex with ANS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-24 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.041, 87.291, 42.850 |
| Unit cell angles | 90.00, 96.69, 90.00 |
Refinement procedure
| Resolution | 43.650 - 1.600 |
| R-factor | 0.16927 |
| Rwork | 0.167 |
| R-free | 0.20770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4map |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.791 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.030 | 0.373 |
| Rmeas | 0.040 | 0.529 |
| Rpim | 0.019 | 0.260 |
| Number of reflections | 39114 | 1953 |
| <I/σ(I)> | 37 | 2.3 |
| Completeness [%] | 98.9 | 99.1 |
| Redundancy | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 100 mM Tris, pH 8.5, 200 mM lithium sulfate, 32% PEG 4000 |
