7G20
Crystal Structure of human FABP4 in complex with 1-[(4-methoxyphenyl)methyl]-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
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 | 32.628, 53.936, 75.312 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.660 - 1.120 |
R-factor | 0.1443 |
Rwork | 0.143 |
R-free | 0.16750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.024 |
RMSD bond angle | 2.315 |
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] | 37.660 | 37.660 | 1.150 |
High resolution limit [Å] | 1.120 | 5.020 | 1.120 |
Rmerge | 0.055 | 0.042 | 0.350 |
Rmeas | 0.052 | 0.046 | 0.396 |
Total number of observations | 306719 | ||
Number of reflections | 51037 | 686 | 3292 |
<I/σ(I)> | 17.16 | 41.64 | 4.75 |
Completeness [%] | 98.7 | 99.1 | 87.9 |
Redundancy | 5.64 | 5.923 | 4.461 |
CC(1/2) | 0.998 | 0.997 | 0.920 |
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 |