3D48
Crystal structure of a prolactin receptor antagonist bound to the extracellular domain of the prolactin receptor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-18 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 65 |
Unit cell lengths | 125.350, 125.350, 69.820 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.221 |
Rwork | 0.218 |
R-free | 0.29500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | FOR THE R CHAIN PDB ENTRY 1BP3. FOR THE P CHAIN A CORE OF A MODELER HOMOLOGY MODEL BASED ON PDB ENTRIES 1BP3 1f6f 1RW5 AND 1N9D. |
RMSD bond length | 0.020 |
RMSD bond angle | 2.013 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (refmac_5.4.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 21797 | |
<I/σ(I)> | 22.46 | 5.5 |
Completeness [%] | 99.8 | 100 |
Redundancy | 11.2 | 11.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | 3.5M Sodium Chloride, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K |