7G1P
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 6-chloro-5-fluoro-1H-benzimidazole
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 | 32.158, 52.964, 72.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.720 - 1.280 |
R-factor | 0.1796 |
Rwork | 0.176 |
R-free | 0.24170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.015 |
RMSD bond angle | 1.839 |
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] | 42.710 | 42.720 | 1.310 |
High resolution limit [Å] | 1.280 | 5.720 | 1.280 |
Rmerge | 0.100 | 0.043 | 1.542 |
Rmeas | 0.107 | 0.048 | 1.681 |
Total number of observations | 199607 | ||
Number of reflections | 32547 | 436 | 2338 |
<I/σ(I)> | 10.14 | 34.71 | 1.47 |
Completeness [%] | 99.7 | 98.4 | 99.3 |
Redundancy | 6.04 | 5.603 | 6.329 |
CC(1/2) | 0.998 | 0.997 | 0.450 |
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 |