6MXF
MicroED structure of thiostrepton at 1.9 A resolution
Experimental procedure
Collection date | 2018-10-03 |
Wavelength(s) | 0.0251 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 26.219, 26.219, 27.534 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.990 - 1.910 |
R-factor | 0.19276 |
Rwork | 0.190 |
R-free | 0.21798 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e9w |
RMSD bond length | 0.015 |
RMSD bond angle | 2.760 |
Data reduction software | MOSFLM (7.2.2) |
Data scaling software | Aimless (0.7.3) |
Phasing software | MOLREP (11.6.04) |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.990 | 2.130 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.236 | 0.320 |
Rmeas | 0.251 | |
Rpim | 0.084 | |
Number of reflections | 686 | |
<I/σ(I)> | 5.1 | 3.4 |
Completeness [%] | 78.6 | 40.3 |
Redundancy | 8.1 | 4.9 |
CC(1/2) | 0.985 | 0.813 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |