5WGZ
Crystal Structure of Wild-type MalA', isomalbrancheamide B 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 | 79.093, 120.651, 170.849 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.180 - 2.041 |
R-factor | 0.1689 |
Rwork | 0.167 |
R-free | 0.21030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wgr |
RMSD bond length | 0.005 |
RMSD bond angle | 0.717 |
Data scaling software | XDS |
Phasing software | AutoSol |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.180 | 2.114 |
High resolution limit [Å] | 2.041 | 2.041 |
Rmerge | 0.078 | 1.234 |
Rmeas | 0.104 | 1.183 |
Rpim | 0.040 | 0.449 |
Number of reflections | 52129 | |
<I/σ(I)> | 15.68 | 1.42 |
Completeness [%] | 99.7 | 98.88 |
Redundancy | 6.7 | 6.7 |
CC(1/2) | 0.999 | 0.581 |
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 |