3MJN
Crystal Structure of the complex of C-lobe of lactoferrin with isopropylamino-3-(1-naphthyloxy)propan-2-ol at 2.38 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 | 2010-04-05 |
Detector | MARRESEARCH |
Wavelength(s) | 1.541 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.107, 50.248, 65.654 |
Unit cell angles | 90.00, 107.82, 90.00 |
Refinement procedure
Resolution | 62.500 - 2.380 |
R-factor | 0.17417 |
Rwork | 0.171 |
R-free | 0.21142 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dwa |
RMSD bond length | 0.011 |
RMSD bond angle | 1.428 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.500 | 2.440 |
High resolution limit [Å] | 2.380 | 2.380 |
Number of reflections | 15943 | |
<I/σ(I)> | 9.1 | 1.9 |
Completeness [%] | 97.4 | 94.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 298 | 0.01M Znso4, 0.1M MES, 25% PEG, Monomethyl Ether 550, pH 6.5, VAPOR DIFFUSION, temperature 298K |