7G1W
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic 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 | 2012-02-05 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 32.212, 53.015, 72.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.800 - 1.340 |
R-factor | 0.2023 |
Rwork | 0.201 |
R-free | 0.23760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.019 |
RMSD bond angle | 2.020 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0018) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.780 | 42.800 | 1.370 |
High resolution limit [Å] | 1.340 | 5.990 | 1.340 |
Rmerge | 0.096 | 0.028 | 1.500 |
Rmeas | 0.109 | 0.031 | 1.635 |
Total number of observations | 176814 | ||
Number of reflections | 28626 | 376 | 2037 |
<I/σ(I)> | 9.57 | 40.22 | 1.19 |
Completeness [%] | 99.9 | 95.7 | 100 |
Redundancy | 6.22 | 5.181 | 6.381 |
CC(1/2) | 0.999 | 0.999 | 0.437 |
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 |