7FZM
Crystal Structure of human FABP4 in complex with N-(2,4-dichlorophenyl)-2-(2,6-dihydroxypyrimidin-4-yl)acetamide
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 | 2010-11-12 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.755, 53.847, 74.779 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.710 - 1.050 |
R-factor | 0.1614 |
Rwork | 0.160 |
R-free | 0.18640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.021 |
RMSD bond angle | 2.003 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.710 | 30.710 | 1.080 |
High resolution limit [Å] | 1.050 | 4.700 | 1.050 |
Rmerge | 0.059 | 0.027 | 1.293 |
Rmeas | 0.064 | 0.029 | 1.407 |
Total number of observations | 412211 | ||
Number of reflections | 62565 | 811 | 4547 |
<I/σ(I)> | 14 | 56.16 | 1.38 |
Completeness [%] | 99.9 | 99.4 | 99.8 |
Redundancy | 6.589 | 6.216 | 6.481 |
CC(1/2) | 0.999 | 0.999 | 0.606 |
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 |