6Y6O
Structure of mature activin A with small molecule 42
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97859 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 64.050, 96.938, 117.242 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.710 - 2.040 |
| R-factor | 0.2248 |
| Rwork | 0.223 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2arv |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.165 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.710 | 74.710 | 2.150 |
| High resolution limit [Å] | 2.040 | 6.440 | 2.040 |
| Rmerge | 0.194 | 0.063 | 2.894 |
| Rmeas | 0.206 | 0.068 | 3.068 |
| Rpim | 0.069 | 0.024 | 1.008 |
| Total number of observations | 199275 | ||
| Number of reflections | 23146 | 829 | 3432 |
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 97.2 | 99.9 | 100 |
| Redundancy | 8.6 | 7.3 | 8.9 |
| CC(1/2) | 0.997 | 0.998 | 0.487 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 291 | 1.65 M (NH4)2SO4, 4 % PEG 300, 100 mM Hepes pH 7.4, 2 % DMSO |
