7G0C
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic 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 | 2011-08-14 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 32.107, 52.905, 72.208 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.110 - 1.140 |
R-factor | 0.1677 |
Rwork | 0.165 |
R-free | 0.21290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.017 |
RMSD bond angle | 1.968 |
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] | 36.100 | 36.110 | 1.170 |
High resolution limit [Å] | 1.140 | 5.100 | 1.140 |
Rmerge | 0.093 | 0.036 | 1.602 |
Rmeas | 0.102 | 0.040 | 1.758 |
Total number of observations | 279601 | ||
Number of reflections | 45671 | 612 | 3315 |
<I/σ(I)> | 7.39 | 30.08 | 1.44 |
Completeness [%] | 99.8 | 99.5 | 99.7 |
Redundancy | 6.17 | 5.889 | 5.883 |
CC(1/2) | 0.998 | 0.999 | 0.481 |
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 |