6NDG
RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN WITH YTTRIUM BOUND
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 | 130.846, 130.846, 251.167 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.940 - 3.150 |
R-factor | 0.2177 |
Rwork | 0.215 |
R-free | 0.27120 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5thp |
RMSD bond length | 0.006 |
RMSD bond angle | 1.423 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 130.846 | 46.896 | 3.320 |
High resolution limit [Å] | 3.150 | 9.960 | 3.150 |
Rmerge | 0.044 | 0.732 | |
Rmeas | 0.173 | 0.047 | 0.774 |
Rpim | 0.056 | 0.015 | 0.250 |
Total number of observations | 680196 | ||
Number of reflections | 72738 | 2340 | 10596 |
<I/σ(I)> | 13.5 | 13.5 | 1 |
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 9.4 | 8.8 | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1 M TRIS, 2.65 M AMMONIUM SULPHATE |