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 |
