7FX9
Crystal Structure of human FABP4 in complex with 2-(3-cyanoanilino)benzoic 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 | 2012-01-31 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.490, 53.984, 75.157 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.850 - 1.100 |
R-factor | 0.1662 |
Rwork | 0.164 |
R-free | 0.21060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.025 |
RMSD bond angle | 2.354 |
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] | 43.850 | 43.850 | 1.130 |
High resolution limit [Å] | 1.100 | 4.920 | 1.100 |
Rmerge | 0.087 | 0.021 | 1.291 |
Rmeas | 0.107 | 0.023 | 1.403 |
Total number of observations | 356112 | ||
Number of reflections | 54534 | 715 | 3974 |
<I/σ(I)> | 9.88 | 57.1 | 1.21 |
Completeness [%] | 99.9 | 99.3 | 99.5 |
Redundancy | 6.54 | 5.845 | 6.498 |
CC(1/2) | 0.999 | 1.000 | 0.328 |
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 |