7FXA
Crystal Structure of human FABP4 in complex with 6-bromo-4-hexyl-2-oxo-1,3-dihydroquinoline-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 | 2011-12-08 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000020 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.440, 53.568, 74.971 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.480 - 1.120 |
R-factor | 0.1359 |
Rwork | 0.135 |
R-free | 0.15090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.019 |
RMSD bond angle | 2.021 |
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] | 37.490 | 37.480 | 1.150 |
High resolution limit [Å] | 1.120 | 5.010 | 1.120 |
Rmerge | 0.040 | 0.033 | 0.137 |
Rmeas | 0.038 | 0.036 | 0.154 |
Total number of observations | 308581 | ||
Number of reflections | 50695 | 668 | 3433 |
<I/σ(I)> | 25.25 | 53.02 | 10.79 |
Completeness [%] | 99.4 | 98.2 | 93 |
Redundancy | 6.15 | 5.808 | 4.652 |
CC(1/2) | 0.999 | 0.998 | 0.985 |
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 |