6L6I
hASIC1a co-crystallized with Mamb-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-02 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.920, 146.620, 207.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.581 - 3.240 |
R-factor | 0.216 |
Rwork | 0.214 |
R-free | 0.24990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s3w |
RMSD bond length | 0.007 |
RMSD bond angle | 1.559 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.581 | 49.530 | 3.370 |
High resolution limit [Å] | 3.240 | 11.680 | 3.240 |
Rmerge | 0.166 | 0.040 | 1.476 |
Rmeas | 0.181 | 0.045 | 0.016 |
Rpim | 0.070 | 0.019 | 0.623 |
Number of reflections | 40093 | 901 | 4463 |
<I/σ(I)> | 9.7 | ||
Completeness [%] | 99.8 | 93 | 100 |
Redundancy | 6.5 | 5.4 | 6.5 |
CC(1/2) | 0.997 | 0.998 | 0.489 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M magnesium formate dehydrate, 14% PEG3350 |