5WGR
Crystal Structure of Wild-type MalA', premalbrancheamide complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 79.284, 120.619, 170.388 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.640 - 2.362 |
R-factor | 0.1538 |
Rwork | 0.151 |
R-free | 0.20480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wgs |
RMSD bond length | 0.005 |
RMSD bond angle | 0.729 |
Data scaling software | XDS |
Phasing software | AutoSol |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.640 | 2.450 |
High resolution limit [Å] | 2.362 | 2.362 |
Rmerge | 0.106 | 1.110 |
Rmeas | 0.126 | 1.184 |
Rpim | 0.048 | 0.439 |
Number of reflections | 33624 | |
<I/σ(I)> | 14.08 | 1.93 |
Completeness [%] | 99.1 | 97.72 |
Redundancy | 6.8 | 7.1 |
CC(1/2) | 0.998 | 0.690 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 2 M ammonium sulfate, 0.2 M lithium sulfate, 0.1 M Bis-Tris pH 5.5, 5 mM cadmium chloride |