7FWY
Crystal Structure of human FABP4 in complex with 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]acetic 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 | 2011-12-08 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000020 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.494, 53.768, 75.342 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.770 - 1.120 |
R-factor | 0.1386 |
Rwork | 0.137 |
R-free | 0.16260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.021 |
RMSD bond angle | 2.066 |
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] | 43.770 | 43.770 | 1.150 |
High resolution limit [Å] | 1.120 | 5.020 | 1.120 |
Rmerge | 0.050 | 0.026 | 0.634 |
Rmeas | 0.049 | 0.028 | 0.715 |
Total number of observations | 304071 | ||
Number of reflections | 50738 | 676 | 3101 |
<I/σ(I)> | 14.76 | 48.56 | 2.8 |
Completeness [%] | 98.8 | 98.5 | 83.6 |
Redundancy | 6.02 | 5.818 | 4.647 |
CC(1/2) | 0.999 | 0.999 | 0.831 |
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 |