8XR2
Crystal structure of AKRtyl-apo1
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 | 2023-11-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97862 |
Spacegroup name | P 43 |
Unit cell lengths | 110.780, 110.780, 561.108 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.670 - 2.390 |
R-factor | 0.2237 |
Rwork | 0.222 |
R-free | 0.26290 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.030 |
Data reduction software | HKL-3000 (7.21) |
Data scaling software | HKL-3000 (7.21) |
Phasing software | PHASER (2.7.0) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.670 | 2.430 |
High resolution limit [Å] | 2.390 | 2.390 |
Rmerge | 0.192 | 0.711 |
Rpim | 0.057 | 0.287 |
Number of reflections | 265114 | 13176 |
<I/σ(I)> | 9.6 | 4.1 |
Completeness [%] | 100.0 | |
Redundancy | 12.7 | |
CC(1/2) | 0.992 | 0.832 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 50 % v/v MPD, 0.1 M Imidazole, pH 7.0 |