8K16
KtrA bound with ATP and thallium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2022-05-22 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | I 4 |
Unit cell lengths | 122.418, 122.418, 83.853 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.010 - 3.100 |
R-factor | 0.2394 |
Rwork | 0.237 |
R-free | 0.26180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.498 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.010 | 3.160 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmeas | 0.040 | |
Rpim | 0.010 | 0.123 |
Number of reflections | 22017 | 1134 |
<I/σ(I)> | 55.87 | 5.57 |
Completeness [%] | 99.7 | |
Redundancy | 15.2 | |
CC(1/2) | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293.15 | 100 mM HEPES-KOH pH 7.5, 3% PEG 6000, 2.5% 2-methyl-2,4-pentanediol, 5 mM Thallium(I) acetate |