6NDF
RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN WITH STRONTIUM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-06-27 |
Detector | RIGAKU |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 |
Unit cell lengths | 132.395, 132.395, 252.991 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.500 - 3.050 |
R-factor | 0.2599 |
Rwork | 0.257 |
R-free | 0.31690 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5thp |
RMSD bond length | 0.006 |
RMSD bond angle | 1.461 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | REFMAC (5.8.0238) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 132.395 | 48.458 | 3.210 |
High resolution limit [Å] | 3.050 | 9.640 | 3.050 |
Rmerge | 0.026 | 0.603 | |
Rmeas | 0.120 | 0.028 | 0.663 |
Rpim | 0.050 | 0.012 | 0.274 |
Total number of observations | 469711 | ||
Number of reflections | 82469 | 2637 | 12046 |
<I/σ(I)> | 12.5 | 24.2 | 1.3 |
Completeness [%] | 99.8 | 98.4 | 100 |
Redundancy | 5.7 | 5.4 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1 M TRIS, 2.65 M AMMONIUM SULPHATE |