6M6X
Oridonin in complex with CRM1#-Ran-RanBP1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-10-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9792 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 106.140, 106.140, 303.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.700 - 2.880 |
R-factor | 0.2168 |
Rwork | 0.216 |
R-free | 0.23250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hat |
RMSD bond length | 0.003 |
RMSD bond angle | 1.294 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.700 | 35.700 | 2.950 |
High resolution limit [Å] | 2.880 | 12.880 | 2.880 |
Rmerge | 0.140 | 0.053 | 1.553 |
Number of reflections | 40256 | 2257 | 1955 |
<I/σ(I)> | 17.7 | ||
Completeness [%] | 99.8 | 94.8 | 100 |
Redundancy | 24.8 | 18.5 | 26.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.12 M Monosaccharides (20 mM D-Glucose; 20 mM D-Mannose; 20 mM D-Galactose; 20 mM L-Fucose; 20 mM D-Xylose; 20 mM N-Acetyl-D-Glucosamine), 0.1 M buffer system 1 pH 6.5 (sodium HEPES and MOPS), and 50 % Precipitant Mix 2 (40% v/v Ethylene glycol; 20 % w/v PEG 8000) |