5WGU
Crystal Structure of MalA' E494D, 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 | 2017-04-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 79.637, 121.300, 170.625 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.430 - 2.052 |
R-factor | 0.1643 |
Rwork | 0.162 |
R-free | 0.20020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wgr |
RMSD bond length | 0.008 |
RMSD bond angle | 0.863 |
Data scaling software | XDS |
Phasing software | AutoSol |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.430 | 2.125 |
High resolution limit [Å] | 2.052 | 2.052 |
Rmerge | 0.110 | 1.146 |
Rmeas | 0.137 | 1.393 |
Rpim | 0.053 | 0.585 |
Number of reflections | 51808 | |
<I/σ(I)> | 12.29 | 1.25 |
Completeness [%] | 99.6 | 96.51 |
Redundancy | 6.5 | 5.7 |
CC(1/2) | 0.998 | 0.592 |
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 |