6NDH
RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN AND ZINC
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 | 131.399, 131.399, 251.358 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.000 - 2.900 |
R-factor | 0.2311 |
Rwork | 0.228 |
R-free | 0.28490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5thp |
RMSD bond length | 0.005 |
RMSD bond angle | 1.370 |
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] | 131.399 | 46.953 | 3.060 |
High resolution limit [Å] | 2.900 | 9.170 | 2.900 |
Rmerge | 0.028 | 0.552 | |
Rmeas | 0.095 | 0.031 | 0.590 |
Rpim | 0.034 | 0.011 | 0.210 |
Number of reflections | 92641 | 2993 | 13415 |
<I/σ(I)> | 18.4 | 22.6 | 1.4 |
Completeness [%] | 98.6 | 99.1 | 97.6 |
Redundancy | 7.8 | 7.2 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1 M TRIS, 2.65 M AMMONIUM SULPHATE |