6K3B
Crystal structure of Lpg2147-Lpg2149 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.872, 83.781, 124.182 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.111 - 1.974 |
R-factor | 0.1726 |
Rwork | 0.171 |
R-free | 0.20490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tsc 5dpo |
RMSD bond length | 0.008 |
RMSD bond angle | 0.902 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.15_3459: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 |
High resolution limit [Å] | 1.974 | 1.974 |
Rmerge | 0.108 | 0.363 |
Number of reflections | 39377 | 3744 |
<I/σ(I)> | 26.7 | |
Completeness [%] | 99.6 | |
Redundancy | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG3350, ammonium nitrate |