7XJR
MLXase AlXyn26A
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 | 2021-06-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 114.428, 114.428, 48.355 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.180 - 1.850 |
| R-factor | 0.1795 |
| Rwork | 0.178 |
| R-free | 0.21170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vpl |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.765 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.180 | 1.916 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.071 | 0.379 |
| Rmeas | 0.072 | 0.387 |
| Rpim | 0.014 | 0.075 |
| Number of reflections | 27987 | 2725 |
| <I/σ(I)> | 45.2 | |
| Completeness [%] | 99.8 | |
| Redundancy | 25.7 | 26.4 |
| CC(1/2) | 0.998 | 0.986 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | ammonium acetate, sodium acetate trihydrate, PEG 4000 |
