8BJE
A structure of the truncated LpMIP with bound inhibitor JK236.
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 31 2 1 |
Unit cell lengths | 52.951, 52.951, 73.146 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.860 - 1.490 |
R-factor | 0.1993 |
Rwork | 0.198 |
R-free | 0.23280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fd9 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.691 |
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] | 45.860 | 1.490 |
High resolution limit [Å] | 1.440 | 1.440 |
Rmeas | 0.070 | 0.100 |
Number of reflections | 23619 | 2330 |
<I/σ(I)> | 9.92 | |
Completeness [%] | 99.2 | |
Redundancy | 10.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 18 %(w/v) PEG 8000, 0.2 M zinc acetate, 0.1 M sodium cacodylate, pH 6.5 |