7WDJ
The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with linoleic acid
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 | 2012-10-12 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.75000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.620, 69.733, 33.617 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.300 - 0.900 |
R-factor | 0.11902 |
Rwork | 0.119 |
R-free | 0.12647 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wvm |
RMSD bond length | 0.021 |
RMSD bond angle | 2.298 |
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] | 43.000 | 0.920 |
High resolution limit [Å] | 0.900 | 0.900 |
Rmerge | 0.065 | 0.387 |
Number of reflections | 95206 | 4699 |
<I/σ(I)> | 9.1 | 3.2 |
Completeness [%] | 99.5 | |
Redundancy | 11.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Hepes-NaOH (pH7.5), 60% PEG 400 or 0.1M Glycine-NaOH (pH9.0), 60% PEG 400 |