7G0P
Crystal Structure of human FABP4 in complex with 3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-12-11 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.497, 53.809, 75.109 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.800 - 1.020 |
R-factor | 0.1423 |
Rwork | 0.141 |
R-free | 0.16830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.026 |
RMSD bond angle | 2.842 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.800 | 30.800 | 1.050 |
High resolution limit [Å] | 1.020 | 4.560 | 1.020 |
Rmerge | 0.035 | 0.014 | 1.045 |
Rmeas | 0.037 | 0.015 | 1.141 |
Total number of observations | 443656 | ||
Number of reflections | 67911 | 879 | 4945 |
<I/σ(I)> | 18.39 | 94.97 | 1.61 |
Completeness [%] | 99.9 | 99.3 | 99.9 |
Redundancy | 6.54 | 6.22 | 6.258 |
CC(1/2) | 1.000 | 1.000 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368 |