2NUV
Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with atenolol at 2.25 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 203 |
Wavelength(s) | 0.80630 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.650, 49.860, 64.990 |
Unit cell angles | 90.00, 106.30, 90.00 |
Refinement procedure
Resolution | 19.820 - 2.250 |
R-factor | 0.206 |
Rwork | 0.206 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2B6D |
RMSD bond length | 0.007 |
RMSD bond angle | 1.700 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.290 |
High resolution limit [Å] | 2.250 | 2.250 |
Number of reflections | 17888 | |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Hepes, ZnSO4, PEG monomethyl ether 550, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |