3P6H
Human adipocyte lipid-binding protein FABP4 in complex with (S)-ibuprofen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.328, 53.380, 75.031 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.500 - 1.150 |
R-factor | 0.16 |
Rwork | 0.158 |
R-free | 0.19100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 2.010 |
Data reduction software | DENZO |
Data scaling software | SCALA (3.3.16) |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.500 | 37.516 | 1.120 |
High resolution limit [Å] | 1.060 | 3.350 | 1.060 |
Rmerge | 0.080 | 0.725 | |
Number of reflections | 58556 | ||
<I/σ(I)> | 6.1 | 7.1 | 1 |
Completeness [%] | 98.4 | 98.4 | 94.3 |
Redundancy | 6.3 | 8.6 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 1.6 M sodium citrate, pH 6.5, vapor diffusion, temperature 293K |