1QJM
Crystal Structure of a Complex of Lactoferrin with a Lanthanide Ion (SM3+) at 3.4 Angstrom Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 287 |
Detector technology | IMAGE PLATE |
Collection date | 1998-08-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.492, 103.191, 113.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.000 - 3.400 |
R-factor | 0.219 |
Rwork | 0.219 |
R-free | 0.31600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1BGR |
RMSD bond length | 0.018 |
RMSD bond angle | 25.500 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.000 | 3.800 |
High resolution limit [Å] | 3.400 | 3.400 |
Rmerge | 0.126 * | 0.263 * |
Total number of observations | 75612 * | |
Number of reflections | 8782 | |
<I/σ(I)> | 11.1 | 3.1 |
Completeness [%] | 85.0 | 55 |
Redundancy | 3.2 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microdialysis * | 8 | 277 | PROTEIN SOLUTION WITH A CONCENTRATION OF 40MG/ML IN 0.025M TRIS-HCL WAS EQUILIBRATED AGAINST THE SAME BUFFER CONTAINING 10% (V/V) ETHANOL AT PH 8.0 AT 4 DEGREE. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | protein | 40 (mg/ml) | |
2 | 1 | 1 | Tris-HCl | 0.025 (M) | |
3 | 1 | 2 | Tris-HCl | 0.025 (M) | |
4 | 1 | 2 | ethanol | 10 (%(v/v)) |