23UX
Crystal Structure of the E48Q variant of the Aquifex aeolicus GyrB ATPase domain complexed with AMPPNP
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 | 2021-07-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 74.500, 89.000, 131.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.500 - 1.700 |
| R-factor | 0.1873 |
| Rwork | 0.186 |
| R-free | 0.21540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.941 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.500 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmeas | 0.184 | 1.740 |
| Number of reflections | 96570 | 96451 |
| <I/σ(I)> | 9.4 | 1.3 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 7.1 | |
| CC(1/2) | 0.997 | 0.510 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 30% (v/v) PEG 400 100 mM HEPES/ Sodium hydroxide pH 7.5 200 mM Sodium chloride |
