7G05
Crystal Structure of human FABP4 in complex with 2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
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 | 2012-02-05 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.407, 54.071, 75.161 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.580 - 0.950 |
R-factor | 0.1425 |
Rwork | 0.141 |
R-free | 0.16590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.021 |
RMSD bond angle | 2.185 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0018) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.580 | 37.580 | 0.970 |
High resolution limit [Å] | 0.950 | 4.250 | 0.950 |
Rmerge | 0.039 | 0.017 | 1.096 |
Rmeas | 0.043 | 0.019 | 1.187 |
Total number of observations | 545627 | ||
Number of reflections | 82836 | 1080 | 5966 |
<I/σ(I)> | 16.78 | 76.07 | 1.54 |
Completeness [%] | 98.5 | 99.3 | 96.9 |
Redundancy | 6.53 | 6.059 | 6.702 |
CC(1/2) | 1.000 | 1.000 | 0.683 |
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 |