8IFX
Aquifex aeolicus TsaD-TsaB in complex with ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 150 |
| Detector technology | PIXEL |
| Collection date | 2023-07-14 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 98.017, 98.017, 131.432 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.640 - 2.000 |
| R-factor | 0.212 |
| Rwork | 0.210 |
| R-free | 0.25290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.970 |
| Data reduction software | CrysalisPro (1.1.11) |
| Data scaling software | Aimless (1.12.15) |
| Phasing software | MOLREP (11.9.02) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.800 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.673 | |
| Number of reflections | 49871 | 9538 |
| <I/σ(I)> | 18.12 | 5.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 10.2 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 9 mg/ml TsaD-TsaB, 5 mM ATP, 5mM MgCl2, 0.1 M MES pH 6.5, 30 % PEG 300, 200 mM NaCl |
