5WGT
Crystal Structure of MalA' H253A, 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 | 2017-02-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 79.176, 120.451, 170.271 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.140 - 2.093 |
R-factor | 0.1647 |
Rwork | 0.162 |
R-free | 0.20750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wgr |
RMSD bond length | 0.007 |
RMSD bond angle | 0.748 |
Data scaling software | XDS |
Phasing software | AutoSol |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.140 | 2.168 |
High resolution limit [Å] | 2.093 | 2.093 |
Rmerge | 0.072 | 1.007 |
Rmeas | 0.081 | 1.187 |
Rpim | 0.031 | 0.458 |
Number of reflections | 48238 | |
<I/σ(I)> | 16.58 | 1.83 |
Completeness [%] | 99.8 | 98.82 |
Redundancy | 6.8 | 6.6 |
CC(1/2) | 0.999 | 0.703 |
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 |