4ASX
Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with dihydro-Bauerine C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-28 |
| Detector | ADSC CCD |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 110.426, 110.426, 208.848 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.990 - 2.050 |
| R-factor | 0.18844 |
| Rwork | 0.187 |
| R-free | 0.22540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3q4t |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.552 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.990 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.130 | 0.820 |
| Number of reflections | 47777 | |
| <I/σ(I)> | 8 | 1.9 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 4.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20 % PEG 3350 0.20 M NA(MALONATE) |
