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 |