5DM4
Crystal structure of the plantazolicin methyltransferase BpumL in complex with pentazolic desmethylPZN analog and SAH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2013-07-28 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 67.813, 78.844, 44.754 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.750 |
R-factor | 0.2027 |
Rwork | 0.201 |
R-free | 0.24303 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.771 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 25.000 |
High resolution limit [Å] | 1.750 |
Number of reflections | 25053 |
<I/σ(I)> | 10.7 |
Completeness [%] | 100.0 |
Redundancy | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 282 | 100mM Bis-tris pH 5.5, 200mM Li2SO4, 22-26% PEG3350 |