7FVX
Crystal Structure of human FABP4 in complex with 4-(1-methyl-2-phenylindol-3-yl)cyclohexane-1-carboxylic 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 | 2010-07-22 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.800000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.331, 54.012, 75.372 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.690 - 1.050 |
R-factor | 0.141 |
Rwork | 0.140 |
R-free | 0.16250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.022 |
RMSD bond angle | 2.197 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0077) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.690 | 37.690 | 1.080 |
High resolution limit [Å] | 1.050 | 4.700 | 1.050 |
Rmerge | 0.064 | 0.032 | 1.007 |
Rmeas | 0.070 | 0.035 | 1.091 |
Total number of observations | 405766 | ||
Number of reflections | 61937 | 812 | 4479 |
<I/σ(I)> | 13.33 | 46.41 | 1.77 |
Completeness [%] | 99.1 | 99.5 | 97.4 |
Redundancy | 6.551 | 6.19 | 6.618 |
CC(1/2) | 0.999 | 0.998 | 0.740 |
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 |