7WPG
The 0.90 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with heptanoic 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 | 2013-06-25 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.8000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.588, 69.815, 33.896 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.630 - 0.900 |
R-factor | 0.11358 |
Rwork | 0.113 |
R-free | 0.12563 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wvm |
RMSD bond length | 0.015 |
RMSD bond angle | 1.890 |
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 | 0.061 | 0.399 |
Number of reflections | 90034 | 4262 |
<I/σ(I)> | 12.4 | 3.5 |
Completeness [%] | 93.1 | |
Redundancy | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris-HCl (pH8.5), 55% PEG 400 |