7FZL
Crystal Structure of human FABP4 in complex with 3-(3-chlorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
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 | 32.548, 53.904, 74.937 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.770 - 1.120 |
R-factor | 0.1275 |
Rwork | 0.126 |
R-free | 0.15780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.022 |
RMSD bond angle | 2.076 |
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] | 43.760 | 43.770 | 1.150 |
High resolution limit [Å] | 1.120 | 5.020 | 1.120 |
Rmerge | 0.034 | 0.025 | 0.284 |
Rmeas | 0.034 | 0.027 | 0.319 |
Total number of observations | 310627 | ||
Number of reflections | 51181 | 680 | 3400 |
<I/σ(I)> | 22.96 | 61.54 | 5.3 |
Completeness [%] | 99.3 | 99 | 90.8 |
Redundancy | 6.09 | 6.174 | 4.444 |
CC(1/2) | 0.999 | 0.999 | 0.953 |
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 |