7FXY
Crystal Structure of human FABP4 in complex with (4-chlorophenyl)methyl 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate
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 | 32.535, 53.795, 74.775 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.400 - 1.130 |
R-factor | 0.1476 |
Rwork | 0.146 |
R-free | 0.17420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.022 |
RMSD bond angle | 2.195 |
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] | 37.390 | 37.400 | 1.160 |
High resolution limit [Å] | 1.130 | 5.050 | 1.130 |
Rmerge | 0.055 | 0.037 | 0.467 |
Rmeas | 0.060 | 0.041 | 0.517 |
Total number of observations | 305461 | ||
Number of reflections | 49963 | 661 | 3654 |
<I/σ(I)> | 14.86 | 36.6 | 4.28 |
Completeness [%] | 99.8 | 98.5 | 99.8 |
Redundancy | 6.15 | 6.112 | 5.443 |
CC(1/2) | 0.998 | 0.997 | 0.908 |
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 |