7G0X
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with isoquinolin-3-amine
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 | 2011-10-17 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 31.835, 53.161, 72.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.030 - 1.480 |
R-factor | 0.1727 |
Rwork | 0.169 |
R-free | 0.23980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.013 |
RMSD bond angle | 1.635 |
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] | 36.030 | 36.030 | 1.520 |
High resolution limit [Å] | 1.480 | 6.620 | 1.480 |
Rmerge | 0.095 | 0.035 | 1.597 |
Rmeas | 0.096 | 0.039 | 1.735 |
Total number of observations | 131946 | ||
Number of reflections | 21115 | 292 | 1541 |
<I/σ(I)> | 9.49 | 33.44 | 1.26 |
Completeness [%] | 100.0 | 99 | 99.9 |
Redundancy | 6.39 | 5.373 | 6.515 |
CC(1/2) | 0.999 | 0.999 | 0.495 |
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 |