7BFT
Thermogutta terrifontis esterase 2 phosphoramylated by tabun
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-12 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9801 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.740, 67.870, 74.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.670 - 1.990 |
R-factor | 0.1613 |
Rwork | 0.160 |
R-free | 0.19330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7bfn |
RMSD bond length | 0.008 |
RMSD bond angle | 1.054 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.670 | 2.064 |
High resolution limit [Å] | 1.990 | 1.990 |
Number of reflections | 19260 | 1851 |
<I/σ(I)> | 17.14 | |
Completeness [%] | 99.5 | |
Redundancy | 12.9 | |
CC(1/2) | 0.998 | 0.978 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 50 mM HEPES pH 7.5, 25% PEG 3350 |