7VQC
Structure of MA1831 from Methanosarcina acetivorans in complex with pyrophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | LIQUID ANODE |
Source details | BRUKER METALJET |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-14 |
Detector | Bruker PHOTON III |
Wavelength(s) | 1.34138 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 111.025, 82.129, 59.809 |
Unit cell angles | 90.00, 102.97, 90.00 |
Refinement procedure
Resolution | 33.000 - 2.450 |
R-factor | 0.174 |
Rwork | 0.170 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7caq |
Data reduction software | SAINT |
Data scaling software | Aimless (0.6.3) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.000 | 2.370 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmerge | 0.188 | 0.831 |
Number of reflections | 19356 | 2085 |
<I/σ(I)> | 7.9 | |
Completeness [%] | 99.0 | 90.7 |
Redundancy | 6.2 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 1.5M ammonium sulfate, 0.1M Tris (pH 8.0), 12% glycerol |