5NKN
Crystal structure of an Anticalin-colchicine complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.3 |
Synchrotron site | BESSY |
Beamline | 14.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-01-29 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.89429 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 46.680, 46.680, 136.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.680 - 2.200 |
R-factor | 0.201 |
Rwork | 0.197 |
R-free | 0.26610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dtq |
RMSD bond length | 0.011 |
RMSD bond angle | 1.634 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.680 | 46.680 | 2.320 |
High resolution limit [Å] | 1.811 | 6.960 | 2.200 |
Rmerge | 0.029 | 0.410 | |
Rmeas | 0.099 | 0.031 | 0.433 |
Rpim | 0.030 | 0.010 | 0.136 |
Total number of observations | 85451 | ||
Number of reflections | 8323 | ||
<I/σ(I)> | 17 | 20.3 | 1.9 |
Completeness [%] | 99.9 | 99.9 | 99.4 |
Redundancy | 10.3 | 8.7 | 9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2.2 M (NH4)2SO4, 200 mM Li2SO4, 100 mM Tris/HCl |