7G1R
Crystal Structure of human FABP4 in complex with 2-[(3-ethoxycarbonylthiophen-2-yl)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 | 2011-12-11 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.387, 53.730, 75.205 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.610 - 0.930 |
R-factor | 0.1402 |
Rwork | 0.139 |
R-free | 0.15730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.020 |
RMSD bond angle | 2.041 |
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] | 37.600 | 37.610 | 0.950 |
High resolution limit [Å] | 0.930 | 4.160 | 0.930 |
Rmerge | 0.036 | 0.013 | 1.447 |
Rmeas | 0.039 | 0.015 | 1.572 |
Total number of observations | 578097 | ||
Number of reflections | 87848 | 1137 | 6305 |
<I/σ(I)> | 18.44 | 98.5 | 1.23 |
Completeness [%] | 98.7 | 99.2 | 96.8 |
Redundancy | 6.48 | 6.434 | 6.511 |
CC(1/2) | 1.000 | 1.000 | 0.527 |
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 |