7QEK
Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-piruvic acid (IPA).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-22 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.213, 76.036, 94.134 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.260 - 2.250 |
R-factor | 0.2099 |
Rwork | 0.207 |
R-free | 0.25770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7qej |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 94.130 | 94.130 | 2.320 |
High resolution limit [Å] | 2.250 | 9.000 | 2.250 |
Rmerge | 0.058 | 0.015 | 0.973 |
Rmeas | 0.066 | 0.017 | 1.100 |
Rpim | 0.031 | 0.008 | 0.504 |
Total number of observations | 83219 | 1246 | 7921 |
Number of reflections | 18502 | 340 | 1696 |
<I/σ(I)> | 14.5 | 55.7 | 1.5 |
Completeness [%] | 98.8 | 97.5 | 99.5 |
Redundancy | 4.5 | 3.7 | 4.7 |
CC(1/2) | 0.999 | 1.000 | 0.603 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 8 | 293 | Tris-HCl 0.1M pH 8.0, PEG 8000 30% |