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 |