7FZC
Crystal Structure of human FABP4 in complex with 5-[(2-chlorophenoxy)methyl]-4-propan-2-yl-1,2,4-triazole-3-thiol
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 | 32.414, 53.807, 75.106 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.560 - 1.120 |
R-factor | 0.1385 |
Rwork | 0.137 |
R-free | 0.16620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.021 |
RMSD bond angle | 2.110 |
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] | 37.550 | 37.560 | 1.150 |
High resolution limit [Å] | 1.120 | 5.020 | 1.120 |
Rmerge | 0.038 | 0.021 | 0.275 |
Rmeas | 0.040 | 0.023 | 0.308 |
Total number of observations | 310381 | ||
Number of reflections | 50408 | 675 | 3223 |
<I/σ(I)> | 20.87 | 55.52 | 5.09 |
Completeness [%] | 98.6 | 99.3 | 87 |
Redundancy | 6.11 | 6.252 | 4.781 |
CC(1/2) | 0.999 | 0.999 | 0.945 |
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 |