6ZGQ
AceL NrdHF class 3 split intein GSH linked splice inactive variant - C124A, N146A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-27 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.5498 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.504, 45.060, 46.281 |
| Unit cell angles | 65.45, 77.51, 69.35 |
Refinement procedure
| Resolution | 41.960 - 1.900 |
| R-factor | 0.2272 |
| Rwork | 0.226 |
| R-free | 0.25310 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.410 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.960 | 41.960 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.090 | 0.059 | 0.411 |
| Rmeas | 0.107 | 0.071 | 0.490 |
| Rpim | 0.058 | 0.039 | 0.262 |
| Total number of observations | 72086 | 601 | 4422 |
| Number of reflections | 20988 | 193 | 1275 |
| <I/σ(I)> | 7.1 | 16.3 | 2 |
| Completeness [%] | 93.6 | 95.5 | 89.1 |
| Redundancy | 3.4 | 3.1 | 3.5 |
| CC(1/2) | 0.993 | 0.994 | 0.856 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 305 | PEG3350 25 %, Glycerol 20 %, 0.1 M MIB |
