7FW2
Crystal Structure of human FABP4 in complex with 5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol
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 | 32.417, 53.780, 75.018 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.730 - 1.120 |
R-factor | 0.1392 |
Rwork | 0.138 |
R-free | 0.16570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.027 |
RMSD bond angle | 2.599 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.710 | 43.730 | 1.150 |
High resolution limit [Å] | 1.120 | 5.010 | 1.120 |
Rmerge | 0.029 | 0.020 | 0.308 |
Rmeas | 0.028 | 0.022 | 0.340 |
Total number of observations | 305645 | ||
Number of reflections | 47029 | 664 | 2728 |
<I/σ(I)> | 25.21 | 77.81 | 5.34 |
Completeness [%] | 91.6 | 97.4 | 73.7 |
Redundancy | 6.03 | 6.095 | 5.451 |
CC(1/2) | 1.000 | 0.999 | 0.952 |
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 |