7YQ1
Crystal structure of adenosine 5'-phosphosulfate kinase from Archaeoglobus fulgidus in complex with AMP-PNP and APS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 52.230, 238.240, 132.470 |
Unit cell angles | 90.00, 93.38, 90.00 |
Refinement procedure
Resolution | 48.480 - 1.910 |
R-factor | 0.2146 |
Rwork | 0.214 |
R-free | 0.24630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cb6 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.944 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 1.910 | 1.910 |
Number of reflections | 122344 | 20197 |
<I/σ(I)> | 6 | |
Completeness [%] | 98.3 | |
Redundancy | 4.3 | |
CC(1/2) | 0.987 | 0.587 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 1.0 M Sodium citrate tribasic, 0.1 M Sodium cacodylate-hydrochloric acid |