3CR9
Crystal structure of the complex of Lactoferrin with 6-(Hydroxymethyl)oxane-2,3,4,5-tetrol at 3.49 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 300 |
Detector technology | IMAGE PLATE |
Collection date | 2008-02-28 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.946, 99.497, 102.415 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.490 |
R-factor | 0.2072 |
Rwork | 0.207 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b1x |
RMSD bond length | 0.020 |
RMSD bond angle | 2.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.620 |
High resolution limit [Å] | 3.490 | 3.490 |
Number of reflections | 9438 | |
<I/σ(I)> | 4.6 | 1.8 |
Completeness [%] | 81.4 | 81.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 50mM Tris, pH 8, 21% Ethanol, VAPOR DIFFUSION, HANGING DROP, temperature 277K |