7G1C
Crystal Structure of human FABP4 in complex with rac-(1R,2S)-2-[(3-methylphenoxy)methyl]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 | 2012-01-31 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.546, 53.825, 75.427 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.720 - 1.080 |
R-factor | 0.15 |
Rwork | 0.148 |
R-free | 0.18170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.026 |
RMSD bond angle | 2.295 |
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] | 37.710 | 37.720 | 1.110 |
High resolution limit [Å] | 1.080 | 4.830 | 1.080 |
Rmerge | 0.074 | 0.032 | 1.412 |
Rmeas | 0.081 | 0.035 | 1.545 |
Total number of observations | 372640 | ||
Number of reflections | 57651 | 752 | 4170 |
<I/σ(I)> | 11.93 | 46.71 | 1.41 |
Completeness [%] | 99.9 | 99.5 | 99.6 |
Redundancy | 6.49 | 6.072 | 6.034 |
CC(1/2) | 0.999 | 0.999 | 0.517 |
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 |