7FC4
X-ray structure of the human heart fatty acid-binding protein complexed with S-Ibuprofen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.90000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 69.524, 107.866, 48.195 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.960 - 1.500 |
R-factor | 0.13995 |
Rwork | 0.138 |
R-free | 0.18429 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wvm |
RMSD bond length | 0.021 |
RMSD bond angle | 2.116 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.064 | 0.380 |
Number of reflections | 29346 | 1463 |
<I/σ(I)> | 9.5 | 3.2 |
Completeness [%] | 99.7 | |
Redundancy | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 0.1M Na-citrate (pH4.5), 40% PEG 400 |