8XZU
HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) bound with 4-hydroxy benzoic acid - Conformation II at 2.33 angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2023-09-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.978930 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 67.290, 67.290, 95.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.290 - 2.330 |
R-factor | 0.2364 |
Rwork | 0.234 |
R-free | 0.25340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.001 |
RMSD bond angle | 0.397 |
Data reduction software | iMOSFLM (7.4.0) |
Data scaling software | Aimless (0.7.13) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.290 | 2.410 |
High resolution limit [Å] | 2.330 | 2.330 |
Rmerge | 0.170 | 1.524 |
Rmeas | 0.180 | 1.621 |
Rpim | 0.060 | 0.545 |
Number of reflections | 9878 | 933 |
<I/σ(I)> | 10.5 | 1.5 |
Completeness [%] | 100.0 | |
Redundancy | 8.8 | 8.5 |
CC(1/2) | 0.997 | 0.543 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.2 | 277.15 | Sodium phosphate dibasic/ Potassium phosphate monobasic, Sodium chloride, PEG 200 |