7G0F
Crystal Structure of human FABP4 in complex with 6-[(3-methoxycarbonyl-4-thiophen-2-ylthiophen-2-yl)carbamoyl]cyclohex-3-ene-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 | 2011-02-14 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999900 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.294, 53.935, 74.948 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.780 - 1.120 |
R-factor | 0.1468 |
Rwork | 0.146 |
R-free | 0.16800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.023 |
RMSD bond angle | 2.043 |
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] | 43.780 | 43.780 | 1.150 |
High resolution limit [Å] | 1.120 | 5.020 | 1.120 |
Rmerge | 0.033 | 0.020 | 0.552 |
Rmeas | 0.034 | 0.022 | 0.610 |
Total number of observations | 304868 | ||
Number of reflections | 47281 | 658 | 2699 |
<I/σ(I)> | 21.61 | 66.9 | 3.48 |
Completeness [%] | 92.8 | 97.1 | 72.3 |
Redundancy | 6.06 | 6.246 | 5.335 |
CC(1/2) | 1.000 | 0.999 | 0.860 |
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 |