7G1S
Crystal Structure of human FABP4 in complex with 3-(3,4-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
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 | 2011-11-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.575, 53.988, 75.411 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.900 - 1.080 |
R-factor | 0.1479 |
Rwork | 0.146 |
R-free | 0.17380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.025 |
RMSD bond angle | 2.282 |
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] | 43.900 | 43.900 | 1.110 |
High resolution limit [Å] | 1.080 | 4.830 | 1.080 |
Rmerge | 0.065 | 0.024 | 1.050 |
Rmeas | 0.075 | 0.026 | 1.137 |
Total number of observations | 378766 | ||
Number of reflections | 57525 | 751 | 4143 |
<I/σ(I)> | 13.24 | 64.11 | 1.76 |
Completeness [%] | 99.3 | 98.9 | 98.7 |
Redundancy | 6.49 | 6.308 | 6.722 |
CC(1/2) | 0.999 | 0.999 | 0.669 |
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 |