7G0Z
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 5-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-3,6-dihydro-2H-pyran-4-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 | 2012-07-26 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 32.128, 52.805, 72.315 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.650 - 0.840 |
R-factor | 0.1185 |
Rwork | 0.117 |
R-free | 0.13730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.030 |
RMSD bond angle | 2.706 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0027) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.650 | 42.650 | 0.860 |
High resolution limit [Å] | 0.860 | 3.760 | 0.840 |
Rmerge | 0.051 | 0.024 | 1.362 |
Rmeas | 0.055 | 0.026 | 1.492 |
Total number of observations | 718210 | ||
Number of reflections | 105101 | 1437 | 8227 |
<I/σ(I)> | 14.37 | 54.59 | 1.13 |
Completeness [%] | 99.9 | 99.7 | 99.9 |
Redundancy | 6.45 | 6.35 | 6.053 |
CC(1/2) | 1.000 | 0.999 | 0.453 |
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 |