7FZZ
Crystal Structure of human FABP4 in complex with 3-[(2,4-dichloro-5-methylphenyl)sulfonylamino]thiophene-2-carboxamide
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 | 2011-10-22 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.448, 53.902, 74.923 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.450 - 1.120 |
R-factor | 0.1354 |
Rwork | 0.134 |
R-free | 0.15520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.018 |
RMSD bond angle | 2.082 |
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] | 37.460 | 37.450 | 1.150 |
High resolution limit [Å] | 1.120 | 5.020 | 1.120 |
Rmerge | 0.040 | 0.026 | 0.200 |
Rmeas | 0.038 | 0.028 | 0.226 |
Total number of observations | 306773 | ||
Number of reflections | 50766 | 671 | 3387 |
<I/σ(I)> | 21.45 | 56.85 | 7.84 |
Completeness [%] | 99.3 | 98.8 | 91.5 |
Redundancy | 6.11 | 5.87 | 4.587 |
CC(1/2) | 0.999 | 0.999 | 0.966 |
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 |