7W08
Itaconate inducible LysR-Type Transcriptional regulator (ITCR) in APO form, Space group P1.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97915 |
Spacegroup name | P 1 |
Unit cell lengths | 68.586, 73.519, 104.035 |
Unit cell angles | 94.24, 105.67, 111.13 |
Refinement procedure
Resolution | 32.960 - 3.250 |
R-factor | 0.2021 |
Rwork | 0.199 |
R-free | 0.23880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7w06 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18_3855) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.370 |
High resolution limit [Å] | 3.250 | 7.000 | 3.250 |
Rmerge | 0.165 | 0.071 | 0.566 |
Rmeas | 0.192 | 0.083 | 0.669 |
Rpim | 0.099 | 0.043 | 0.353 |
Total number of observations | 95622 | ||
Number of reflections | 25827 | 2560 | 2460 |
<I/σ(I)> | 3.8 | ||
Completeness [%] | 91.9 | 90.6 | 86.9 |
Redundancy | 3.7 | 3.6 | 3.4 |
CC(1/2) | 0.992 | 0.753 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 276 | 0.2M Ammonium citrate tribasic pH 7.0, 20% w/v Polyethylene glycol 3350 |