2Q98
X-ray structure of a prolactin antagonist
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2006-02-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979989 |
Spacegroup name | I 4 |
Unit cell lengths | 122.590, 122.590, 28.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
R-factor | 0.221 |
Rwork | 0.211 |
R-free | 0.30200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1F6F CHAIN A |
RMSD bond length | 0.012 |
RMSD bond angle | 1.391 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 86.711 | 86.710 | 2.740 |
High resolution limit [Å] | 2.600 | 8.220 | 2.600 |
Rmerge | 0.080 | 0.060 | 0.235 |
Total number of observations | 484 | 2216 | |
Number of reflections | 6433 | ||
<I/σ(I)> | 6.6 | 9.2 | 2.8 |
Completeness [%] | 93.8 | 85.4 | 93.1 |
Redundancy | 2.4 | 2.3 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 100 mM Tris-HCl pH 8.5, 675 mM K2HPO4, 45 mM (NH4)2PO4, 50 mM LiSO4, 7.5 % glycerol, 8% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |