7DED
Mevo lectin complex with mannoheptose (Man7)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2020-04-14 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 168.350, 168.350, 104.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.592 - 2.228 |
Rwork | 0.246 |
R-free | 0.26670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7bsb |
RMSD bond length | 0.012 |
RMSD bond angle | 1.689 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.180 | 2.350 |
High resolution limit [Å] | 2.220 | 2.230 |
Rmerge | 0.390 | 0.813 |
Rpim | 0.091 | 0.196 |
Number of reflections | 73523 | 10366 |
<I/σ(I)> | 7.8 | 3.2 |
Completeness [%] | 99.7 | 98 |
Redundancy | 19.2 | 17.6 |
CC(1/2) | 0.985 | 0.524 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6 | 295 | Tacsimate pH 6.0, 0.1 M MES monohydrate pH 6.0, 25 % (w/v) PEG 4000 |