7FZF
Crystal Structure of human FABP4 in complex with 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)butanoic 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 | 2011-08-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.378, 53.682, 75.103 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.670 - 1.090 |
R-factor | 0.1545 |
Rwork | 0.153 |
R-free | 0.17620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.019 |
RMSD bond angle | 2.240 |
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] | 43.670 | 43.670 | 1.120 |
High resolution limit [Å] | 1.090 | 4.870 | 1.090 |
Rmerge | 0.040 | 0.015 | 1.154 |
Rmeas | 0.045 | 0.017 | 1.255 |
Total number of observations | 364120 | ||
Number of reflections | 55265 | 725 | 4002 |
<I/σ(I)> | 17.62 | 88.68 | 1.5 |
Completeness [%] | 99.5 | 99.3 | 98.6 |
Redundancy | 6.58 | 6.073 | 6.412 |
CC(1/2) | 1.000 | 1.000 | 0.661 |
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 |