4G2U
Crystal Structure Analysis of Ostertagia ostertagi ASP-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.178, 76.291, 81.529 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.835 - 1.850 |
R-factor | 0.1919 |
Rwork | 0.189 |
R-free | 0.24010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nt8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.134 |
Data scaling software | SCALA (3.3.16) |
Phasing software | BALBES |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.835 | 35.835 | 1.950 |
High resolution limit [Å] | 1.850 | 5.850 | 1.850 |
Rmerge | 0.031 | 0.415 | |
Rmeas | 0.036 | 0.532 | |
Rpim | 0.019 | 0.325 | |
Total number of observations | 3958 | 9758 | |
Number of reflections | 37078 | ||
<I/σ(I)> | 8.9 | 16.9 | 2.5 |
Completeness [%] | 91.7 | 89.9 | 77.6 |
Redundancy | 3.1 | 3.2 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100mM Bis-Tris, 100mM ammonium sulfate, 25% PEG-3350, pH 6.5, Vapor diffusion, hanging drop, temperature 293K |