1UKM
Crystal structure of EMS16, an Antagonist of collagen receptor integrin alpha2beta1 (GPIa/IIa)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-08-12 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.570, 59.933, 115.743 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.900 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.23400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bj3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.031 | 0.116 |
| Total number of observations | 91401 * | |
| Number of reflections | 26199 | |
| <I/σ(I)> | 16.1 | 5.6 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 293 | PEG8000, potassium dihydrogen phosphate, glycerol, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | pH7.5 |
| 3 | 1 | reservoir | potassium dihydrogen phosphate | 0.04 (M) | |
| 4 | 1 | reservoir | PEG8000 | 16 (%) | |
| 5 | 1 | reservoir | glycerol | 20 (%) |
