3NCC
A human Prolactin receptor antagonist in complex with the mutant extracellular domain H188A of the human prolactin receptor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 65 |
Unit cell lengths | 123.411, 123.411, 73.148 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.030 - 2.500 |
R-factor | 0.18082 |
Rwork | 0.178 |
R-free | 0.24130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mzg |
RMSD bond length | 0.021 |
RMSD bond angle | 1.986 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.000 | 33.000 | 2.330 |
High resolution limit [Å] | 2.250 | 4.840 | 2.250 |
Rmerge | 0.123 | 0.060 | 0.815 |
Number of reflections | 30305 | ||
<I/σ(I)> | 8 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 11.2 | 11 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 3.7M NaCl, 0.1 M Hepes 7.5, 6% PEG monomethylether 550, hanging drop, temperature 291K, VAPOR DIFFUSION, HANGING DROP |