8U2L
Crystal structure of KAI2 S95C L48I mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.379, 55.676, 53.031 |
| Unit cell angles | 90.00, 116.02, 90.00 |
Refinement procedure
| Resolution | 47.660 - 2.040 |
| R-factor | 0.18521 |
| Rwork | 0.182 |
| R-free | 0.23336 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.457 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.660 | 2.090 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.200 | 1.201 |
| Rpim | 0.145 | 0.822 |
| Number of reflections | 16684 | 1005 |
| <I/σ(I)> | 3.8 | 1.3 |
| Completeness [%] | 98.4 | 80 |
| Redundancy | 6.1 | 5.3 |
| CC(1/2) | 0.986 | 0.410 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 2.2 M ammonium sulfate, 1 M HEPES pH 6.7; KAI2 protein at 13 mg/mL |
