7G17
Crystal Structure of human FABP4 in complex with 2-(1H-indol-7-yloxymethyl)-1,3-thiazole-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 | 2012-02-02 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.222, 53.770, 74.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.480 - 1.050 |
R-factor | 0.1489 |
Rwork | 0.147 |
R-free | 0.18530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.022 |
RMSD bond angle | 2.390 |
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] | 37.480 | 37.480 | 1.080 |
High resolution limit [Å] | 1.050 | 4.700 | 1.050 |
Rmerge | 0.073 | 0.022 | 1.559 |
Rmeas | 0.085 | 0.024 | 1.697 |
Total number of observations | 401646 | ||
Number of reflections | 61663 | 801 | 4498 |
<I/σ(I)> | 11.46 | 60.07 | 1.03 |
Completeness [%] | 100.0 | 99.4 | 99.9 |
Redundancy | 6.53 | 6.315 | 6.436 |
CC(1/2) | 1.000 | 1.000 | 0.437 |
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 |