8P3D
Full length structure of TcMIP with bound inhibitor NJS224.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-08-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.858, 34.696, 53.081 |
Unit cell angles | 90.00, 93.53, 90.00 |
Refinement procedure
Resolution | 46.770 - 1.710 |
R-factor | 0.1833 |
Rwork | 0.182 |
R-free | 0.21710 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.006 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.770 | 1.770 |
High resolution limit [Å] | 1.710 | 1.710 |
Number of reflections | 18060 | 1811 |
<I/σ(I)> | 9.5 | |
Completeness [%] | 96.6 | |
Redundancy | 7.7 | |
CC(1/2) | 0.910 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 5 mM Tris pH 7.5 150 mM NaCl PEG2000 12 % |