4POW
Structure of the PBP NocT in complex with pyronopaline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-03-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97 |
Spacegroup name | P 32 |
Unit cell lengths | 114.550, 114.550, 37.770 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 22.690 - 1.550 |
R-factor | 0.1711 |
Rwork | 0.170 |
R-free | 0.19020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4poi |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.700 | 1.640 |
High resolution limit [Å] | 1.550 | 1.550 |
Number of reflections | 80447 | |
Completeness [%] | 99.9 | 99.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG 4K, 0.1 M Tris, 0.1 M LiSO4, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |