8P3C
Full length structure of BpMIP with bound inhibitor NJS227.
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 | 2021-05-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.967 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 77.608, 77.608, 52.995 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 67.210 - 2.020 |
R-factor | 0.19582 |
Rwork | 0.194 |
R-free | 0.23525 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 2.487 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.210 | 2.092 |
High resolution limit [Å] | 2.020 | 2.020 |
Number of reflections | 12368 | 1234 |
<I/σ(I)> | 9.5 | |
Completeness [%] | 99.8 | |
Redundancy | 8 | |
CC(1/2) | 0.900 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1 M BisTris pH 5.0 0.8 M Ammonium sulfate PEG3350 14 % |