7G1U
Crystal Structure of human FABP4 in complex with 2-[[5-chloro-2-(3-methyl-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 | 2012-02-10 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.651, 53.793, 74.842 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.680 - 1.140 |
R-factor | 0.1454 |
Rwork | 0.143 |
R-free | 0.17980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.027 |
RMSD bond angle | 2.658 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.680 | 43.680 | 1.170 |
High resolution limit [Å] | 1.140 | 5.100 | 1.140 |
Rmerge | 0.056 | 0.022 | 1.393 |
Rmeas | 0.061 | 0.024 | 1.512 |
Total number of observations | 319042 | ||
Number of reflections | 48953 | 648 | 3603 |
<I/σ(I)> | 14.48 | 55.45 | 1.37 |
Completeness [%] | 99.9 | 99.4 | 99.9 |
Redundancy | 6.517 | 6.042 | 6.644 |
CC(1/2) | 0.999 | 1.000 | 0.539 |
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 |