8I1O
Crystal structure of APSK2 domain from human PAPSS2 in complex with exogenous APS and ADP
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 | 2021-05-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9875 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.725, 53.035, 130.639 |
Unit cell angles | 90.00, 102.44, 90.00 |
Refinement procedure
Resolution | 48.972 - 2.400 |
R-factor | 0.1935 |
Rwork | 0.192 |
R-free | 0.22980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ofx |
RMSD bond length | 0.012 |
RMSD bond angle | 1.780 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.156 | 0.107 | 0.355 |
Total number of observations | 121780 | ||
Number of reflections | 31651 | 3284 | 3096 |
<I/σ(I)> | 6.2 | ||
Completeness [%] | 92.2 | 92 | 91.5 |
Redundancy | 3.8 | 4 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Ammonium citrate dihydrate, pH7.0 and 20% w/v PEG3350 |