8T7M
Iron and Copper bound HftA from Treponema denticola
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-04 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.95374 |
Spacegroup name | P 63 |
Unit cell lengths | 105.250, 105.250, 79.590 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.790 - 1.820 |
R-factor | 0.205 |
Rwork | 0.204 |
R-free | 0.23310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pjl |
RMSD bond length | 0.008 |
RMSD bond angle | 0.943 |
Data reduction software | autoPROC |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.570 | 1.920 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.084 | 0.395 |
Number of reflections | 44957 | 4462 |
<I/σ(I)> | 18.1 | |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 19.3 | |
CC(1/2) | 0.999 | 0.848 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | Sodium citrate, Ammonium sulphate, glycerol |