6L6N
hASIC1a co-crystallized with Nafamostat
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.650, 142.710, 221.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.170 - 2.860 |
| R-factor | 0.2119 |
| Rwork | 0.210 |
| R-free | 0.24740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s3w |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.604 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 72.271 | 72.170 | 2.930 |
| High resolution limit [Å] | 2.860 | 12.790 | 2.860 |
| Rmerge | 0.129 | 0.040 | 1.603 |
| Rmeas | 0.136 | 0.044 | 1.688 |
| Rpim | 0.044 | 0.016 | 0.524 |
| Total number of observations | 6595 | 47221 | |
| Number of reflections | 62234 | 803 | 4519 |
| <I/σ(I)> | 14.9 | 36.8 | 2.1 |
| Completeness [%] | 99.9 | 98.2 | 99.9 |
| Redundancy | 10 | 8.2 | 10.4 |
| CC(1/2) | 0.997 | 0.995 | 0.739 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M sodium acetate pH7.0, 14% w/v PEG3350 |
