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 |