7G1J
Crystal Structure of human FABP4 in complex with 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl]cyclohexene-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 | 2012-01-31 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.372, 54.053, 75.123 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.560 - 1.110 |
R-factor | 0.1458 |
Rwork | 0.144 |
R-free | 0.17860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.023 |
RMSD bond angle | 2.179 |
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] | 37.560 | 37.560 | 1.140 |
High resolution limit [Å] | 1.110 | 4.960 | 1.110 |
Rmerge | 0.073 | 0.021 | 1.489 |
Rmeas | 0.087 | 0.023 | 1.607 |
Total number of observations | 348951 | ||
Number of reflections | 52238 | 696 | 3743 |
<I/σ(I)> | 12.55 | 62.28 | 1.25 |
Completeness [%] | 98.1 | 98.6 | 96.7 |
Redundancy | 6.58 | 6.21 | 6.966 |
CC(1/2) | 1.000 | 0.999 | 0.552 |
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 |