7FWE
Crystal Structure of human FABP4 in complex with 3-(4-chlorophenyl)sulfanylbutanoic 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 | 2012-02-05 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.333, 53.891, 75.105 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.560 - 1.050 |
R-factor | 0.1403 |
Rwork | 0.139 |
R-free | 0.16380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.021 |
RMSD bond angle | 1.984 |
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] | 37.550 | 37.560 | 1.080 |
High resolution limit [Å] | 1.050 | 4.700 | 1.050 |
Rmerge | 0.044 | 0.015 | 1.155 |
Rmeas | 0.050 | 0.016 | 1.252 |
Total number of observations | 404998 | ||
Number of reflections | 62127 | 806 | 4562 |
<I/σ(I)> | 16.25 | 81.52 | 1.59 |
Completeness [%] | 99.9 | 99.6 | 99.8 |
Redundancy | 6.55 | 6.14 | 6.651 |
CC(1/2) | 1.000 | 1.000 | 0.659 |
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 |