7G0T
Crystal Structure of human FABP4 in complex with 1-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic 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 | 2012-03-30 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.599, 54.690, 73.636 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.810 - 1.650 |
R-factor | 0.2066 |
Rwork | 0.205 |
R-free | 0.24230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.016 |
RMSD bond angle | 1.896 |
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] | 36.820 | 36.810 | 1.690 |
High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
Rmerge | 0.070 | 0.031 | 1.321 |
Rmeas | 0.075 | 0.035 | 1.484 |
Total number of observations | 79470 | ||
Number of reflections | 16066 | 249 | 1090 |
<I/σ(I)> | 11.39 | 35.45 | 1.32 |
Completeness [%] | 89.3 | 98.8 | 82.8 |
Redundancy | 4.46 | 5.394 | 4.363 |
CC(1/2) | 0.998 | 0.999 | 0.490 |
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 |