7FBN
X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50% DMF solution containing dibutylhydroxytoluene (BHT)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-27 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 0.8 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.638, 69.908, 34.068 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.050 - 1.440 |
| R-factor | 0.13334 |
| Rwork | 0.131 |
| R-free | 0.17936 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wvm |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.025 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MERLOT |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.480 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.094 | 0.494 |
| Number of reflections | 23896 | 1183 |
| <I/σ(I)> | 8.8 | 5.3 |
| Completeness [%] | 99.4 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294 | 0.1M Tris-HCl (pH8.0), 50% PEG 400 |
