6NDC
RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN WITH CHROMIUM 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 | 131.140, 131.140, 251.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 92.900 - 3.350 |
R-factor | 0.2185 |
Rwork | 0.215 |
R-free | 0.27580 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5thp |
RMSD bond length | 0.005 |
RMSD bond angle | 1.408 |
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] | 131.140 | 92.730 | 3.530 |
High resolution limit [Å] | 3.350 | 10.590 | 3.350 |
Rmerge | 0.057 | 0.578 | |
Rmeas | 0.181 | 0.063 | 0.667 |
Rpim | 0.087 | 0.025 | 0.321 |
Number of reflections | 48646 | 1924 | 6757 |
<I/σ(I)> | 6.8 | 10.4 | 1.3 |
Completeness [%] | 80.3 | 97.6 | 76.6 |
Redundancy | 3.3 | 6.1 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1 M TRIS, 2.65 M AMMONIUM SULPHATE |