3IB0
Structural basis of the prevention of NSAID-induced damage of the gastrointestinal tract by C-terminal half (C-lobe) of bovine colostrum protein lactoferrin: Binding and structural studies of C-lobe complex with diclofenac
Replaces: 2B6DReplaces: 3HWVExperimental 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 |
Detector technology | IMAGE PLATE |
Collection date | 2005-09-06 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.8 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.432, 49.865, 65.165 |
Unit cell angles | 90.00, 107.10, 90.00 |
Refinement procedure
Resolution | 62.260 - 1.400 |
R-factor | 0.204 |
Rwork | 0.193 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nkx |
RMSD bond length | 0.006 |
RMSD bond angle | 1.467 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.260 | 1.430 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 70446 | |
Completeness [%] | 99.6 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1M MES, 25% POLY ETHYLENE GLYCOL MONOMETHYL ETHER-550, 0.1M ZNSO4, PH6.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |