6O6E
Crystal structure of PltF trapped with PltL using a proline adenosine vinylsulfonamide inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2018-12-14 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.11587 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 170.550, 170.550, 64.900 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 85.420 - 2.140 |
R-factor | 0.2165 |
Rwork | 0.214 |
R-free | 0.26010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e7w |
RMSD bond length | 0.009 |
RMSD bond angle | 1.692 |
Data reduction software | XDS (January 26, 2018) |
Data scaling software | XDS (January 26, 2018) |
Phasing software | MOLREP (11.2.08) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.420 | 2.190 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmeas | 0.280 | |
Number of reflections | 59600 | 5360 |
<I/σ(I)> | 9.73 | 0.31 |
Completeness [%] | 99.2 | 90.5 |
Redundancy | 10.03 | 8.48 |
CC(1/2) | 0.998 | 0.082 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.73 | 296 | 0.1 M malonic acid pH 5.73, 3.18 M sodium formate |