7FWN
Crystal Structure of human FABP4 in complex with 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic 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 | 2010-12-18 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999900 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.254, 53.714, 75.386 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.690 - 1.120 |
R-factor | 0.1351 |
Rwork | 0.134 |
R-free | 0.15260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.020 |
RMSD bond angle | 1.934 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0093) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.690 | 37.690 | 1.150 |
High resolution limit [Å] | 1.120 | 5.020 | 1.120 |
Rmerge | 0.060 | 0.045 | 0.297 |
Rmeas | 0.066 | 0.049 | 0.335 |
Total number of observations | 279342 | ||
Number of reflections | 50163 | 678 | 3099 |
<I/σ(I)> | 15.84 | 29.37 | 4.68 |
Completeness [%] | 98.3 | 99.6 | 83 |
Redundancy | 5.569 | 5.765 | 4.365 |
CC(1/2) | 0.998 | 0.997 | 0.934 |
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 |