7FVY
Crystal Structure of human FABP4 in complex with 2-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic 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) | 0.700010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.278, 53.731, 75.022 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.500 - 1.000 |
R-factor | 0.1286 |
Rwork | 0.128 |
R-free | 0.15110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.023 |
RMSD bond angle | 2.373 |
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] | 37.510 | 37.500 | 1.030 |
High resolution limit [Å] | 1.000 | 4.470 | 1.000 |
Rmerge | 0.041 | 0.013 | 1.271 |
Rmeas | 0.047 | 0.014 | 1.381 |
Total number of observations | 466036 | ||
Number of reflections | 71350 | 923 | 5201 |
<I/σ(I)> | 18.37 | 102.11 | 1.41 |
Completeness [%] | 99.9 | 99.4 | 100 |
Redundancy | 6.55 | 6.033 | 6.561 |
CC(1/2) | 1.000 | 1.000 | 0.596 |
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 |