7FVW
Crystal Structure of human FABP4 in complex with 2-[2-(3-chlorophenyl)ethyl]-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 | 2012-01-31 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.305, 53.826, 75.102 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.770 - 1.040 |
R-factor | 0.1439 |
Rwork | 0.142 |
R-free | 0.16980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.025 |
RMSD bond angle | 2.349 |
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] | 43.750 | 43.770 | 1.070 |
High resolution limit [Å] | 1.040 | 4.650 | 1.040 |
Rmerge | 0.086 | 0.018 | 1.428 |
Rmeas | 0.095 | 0.019 | 1.553 |
Total number of observations | 416337 | ||
Number of reflections | 63776 | 831 | 4632 |
<I/σ(I)> | 12.17 | 73.57 | 1.22 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 6.55 | 6.371 | 6.496 |
CC(1/2) | 1.000 | 1.000 | 0.512 |
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 |