5WGW
Crystal Structure of Wild-type MalA', malbrancheamide 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 | 79.387, 120.880, 170.919 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.290 - 2.092 |
R-factor | 0.1634 |
Rwork | 0.161 |
R-free | 0.20390 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.681 |
Data scaling software | XDS |
Phasing software | AutoSol |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.290 | 46.290 | 2.167 |
High resolution limit [Å] | 2.092 | 8.840 | 2.092 |
Rmerge | 0.116 | 0.034 | 1.098 |
Rmeas | 0.126 | 0.037 | 1.184 |
Rpim | 0.048 | 0.015 | 0.439 |
Total number of observations | 230046 | 4369 | 24345 |
Number of reflections | 48827 | 716 | 3426 |
<I/σ(I)> | 15.25 | 42.5 | 2.1 |
Completeness [%] | 99.5 | 98.8 | 98.1 |
Redundancy | 6.8 | 6.1 | 7.1 |
CC(1/2) | 0.999 | 0.992 | 0.707 |
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 |