8IEY
Aquifex aeolicus TsaD-TsaB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-X |
Temperature [K] | 150 |
Detector technology | PIXEL |
Collection date | 2021-09-27 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.54184 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 97.719, 97.719, 132.204 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.520 - 2.000 |
R-factor | 0.219 |
Rwork | 0.216 |
R-free | 0.26690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.907 |
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] | 30.640 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rpim | 0.103 | |
Number of reflections | 48654 | 4427 |
<I/σ(I)> | 30.87 | |
Completeness [%] | 99.9 | |
Redundancy | 24.5 | |
CC(1/2) | 0.998 | 0.892 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 9 mg/ml TsaD-TsaB, 0.1 M MES pH 6.5, 30 % PEG 300, 200 mM NaC |