6Y6N
Structure of mature activin A with small molecule 2
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 | 2018-02-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97858 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 64.253, 96.951, 120.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.540 - 2.030 |
| R-factor | 0.236 |
| Rwork | 0.236 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2arv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.670 | 56.670 | 2.140 |
| High resolution limit [Å] | 2.030 | 6.410 | 2.030 |
| Rmerge | 0.182 | 0.065 | 2.764 |
| Rmeas | 0.194 | 0.070 | 2.932 |
| Rpim | 0.065 | 0.025 | 0.964 |
| Total number of observations | 214143 | ||
| Number of reflections | 24727 | 865 | 3564 |
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 99.6 | 99.8 | 100 |
| Redundancy | 8.7 | 7.3 | 8.9 |
| CC(1/2) | 0.996 | 0.996 | 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 |
