8BTN
Crystal structure of BcThsB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-01 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.976300 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.183, 73.923, 125.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.520 - 3.100 |
R-factor | 0.2407 |
Rwork | 0.238 |
R-free | 0.26520 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.507 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (phenix-1.19.2-4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 125.040 | 3.270 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmeas | 0.103 | 0.836 |
Rpim | 0.028 | 0.225 |
Total number of observations | 107937 | 15645 |
Number of reflections | 8250 | 1153 |
<I/σ(I)> | 17.7 | 3.4 |
Completeness [%] | 99.9 | |
Redundancy | 13.1 | 13.6 |
CC(1/2) | 0.999 | 0.930 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 20% (w/v) polypropylene glycol monomethyl ether 2000, 0.1M MOPS/HEPES pH 7.5, 5% (v/v) glycerol |