6AWW
Structure of PR 10 Allergen Ara h 8.01 in complex with 3-Hydroxy-2-naphthoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-30 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.567, 130.513, 140.883 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.300 |
R-factor | 0.22698 |
Rwork | 0.225 |
R-free | 0.25995 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4map |
RMSD bond length | 0.016 |
RMSD bond angle | 1.714 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.043 | 0.314 |
Rmeas | 0.051 | 0.445 |
Rpim | 0.018 | 0.155 |
Number of reflections | 37595 | 1873 |
<I/σ(I)> | 45.7 | 4.75 |
Completeness [%] | 99.8 | 100 |
Redundancy | 8.1 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 100 mM Tris, 25% PEG 3350, pH 8.5 |