5MPQ
Bulgecin A: The key to a broad-spectrum inhibitor that targets lytic transglycosylases
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 | 2016-07-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.834, 71.561, 121.123 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.840 - 1.780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4YIM |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.840 | |
High resolution limit [Å] | 1.780 | 1.780 |
Number of reflections | 54379 | |
<I/σ(I)> | 4.46 | |
Completeness [%] | 98.0 | |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 1.5-2.0 M Ammonium sulfate, 0.1 MES buffer pH 6.5 or 1.5-2.0 M Ammonium sulfate, 0.1 M 2% (v/v) PEG 400 0.1 M Hepes pH. 7.5 |