7FZW
Crystal Structure of human FABP4 in complex with 2-[[5-bromo-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]cyclopentene-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 | 2012-02-19 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.786, 53.581, 74.524 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.520 - 1.240 |
R-factor | 0.1456 |
Rwork | 0.144 |
R-free | 0.18330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.017 |
RMSD bond angle | 1.928 |
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] | 43.500 | 43.520 | 1.270 |
High resolution limit [Å] | 1.240 | 5.550 | 1.240 |
Rmerge | 0.045 | 0.020 | 0.983 |
Rmeas | 0.050 | 0.022 | 1.091 |
Total number of observations | 245194 | ||
Number of reflections | 38048 | 509 | 2766 |
<I/σ(I)> | 16.36 | 59.71 | 1.49 |
Completeness [%] | 99.9 | 98.8 | 99.6 |
Redundancy | 6.48 | 5.387 | 5.216 |
CC(1/2) | 1.000 | 1.000 | 0.695 |
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 |