8BK6
A truncated structure of LpMIP with bound inhibitor JK095.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 73.557, 73.557, 103.286 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.920 - 2.263 |
R-factor | 0.2868 |
Rwork | 0.287 |
R-free | 0.34820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fd9 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.797 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.920 | 5.500 |
High resolution limit [Å] | 2.263 | 2.263 |
Rmeas | 0.060 | 0.090 |
Number of reflections | 13801 | 1334 |
<I/σ(I)> | 8 | |
Completeness [%] | 99.6 | |
Redundancy | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 20 %(v/v) 2-propanol, 0.2 M sodium citrate tribasic dihydrate, 0.1 M HEPES, pH 7.5 |