7THQ
Crystal structure of PltF trapped with PigG 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 | 2019-10-22 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.12 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.730, 132.680, 140.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 96.610 - 2.460 |
R-factor | 0.2086 |
Rwork | 0.206 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6o6e |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 96.610 | 2.548 |
High resolution limit [Å] | 2.460 | 2.460 |
Rmerge | 0.153 | 2.666 |
Rmeas | 0.160 | 2.798 |
Rpim | 0.044 | 0.825 |
Number of reflections | 45189 | 4110 |
<I/σ(I)> | 13.99 | |
Completeness [%] | 99.1 | 91.27 |
Redundancy | 12.8 | 10.4 |
CC(1/2) | 0.999 | 0.286 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 35% PEG 3350, 0.50 M NaCl, 0.1 M BTP pH 7.50, and 0.01 M sodium citrate tribasic |