6NDA
RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN AND CADMIUM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU R-AXIS IV |
| 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 | 130.530, 130.530, 250.919 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 92.470 - 3.150 |
| R-factor | 0.2149 |
| Rwork | 0.212 |
| R-free | 0.27130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5thp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.462 |
| 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] | 130.530 | 92.298 | 3.320 |
| High resolution limit [Å] | 3.150 | 9.960 | 3.150 |
| Rmerge | 0.042 | 0.416 | |
| Rmeas | 0.121 | 0.045 | 0.472 |
| Rpim | 0.054 | 0.017 | 0.214 |
| Total number of observations | 296700 | ||
| Number of reflections | 67910 | 2340 | 9484 |
| <I/σ(I)> | 10.9 | 14.8 | 1.8 |
| Completeness [%] | 94.0 | 99.6 | 90.2 |
| Redundancy | 4.4 | 6.7 | 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 |
