7FVU
Crystal Structure of human FABP4 in complex with 2-[2-(benzothiophen-3-yl)-2,3-dihydrobenzothiophene-3-carbonyl]benzoic 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 | 2010-09-19 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.859, 53.409, 74.718 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.450 - 1.240 |
R-factor | 0.1365 |
Rwork | 0.135 |
R-free | 0.15860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.020 |
RMSD bond angle | 1.996 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.450 | 43.450 | 1.270 |
High resolution limit [Å] | 1.240 | 5.550 | 1.240 |
Rmerge | 0.040 | 0.033 | 0.262 |
Rmeas | 0.044 | 0.036 | 0.294 |
Total number of observations | 232793 | ||
Number of reflections | 36681 | 506 | 2288 |
<I/σ(I)> | 22.76 | 46.18 | 5.01 |
Completeness [%] | 96.3 | 98.3 | 82.1 |
Redundancy | 6.346 | 5.895 | 4.568 |
CC(1/2) | 0.999 | 0.998 | 0.966 |
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 |