7FZ0
Crystal Structure of human FABP4 in complex with 2-tert-butyl-6-ethyl-4,5-diphenyl-3-(1H-tetrazol-5-yl)pyridine
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 | 2012-09-17 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.508, 54.114, 74.495 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.780 - 1.020 |
R-factor | 0.1497 |
Rwork | 0.149 |
R-free | 0.16590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.024 |
RMSD bond angle | 2.211 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.780 | 43.780 | 1.050 |
High resolution limit [Å] | 1.020 | 4.560 | 1.020 |
Rmerge | 0.043 | 0.030 | 1.029 |
Rmeas | 0.047 | 0.033 | 1.123 |
Total number of observations | 442780 | ||
Number of reflections | 67397 | 873 | 4851 |
<I/σ(I)> | 15.52 | 49.67 | 1.66 |
Completeness [%] | 99.4 | 98.5 | 98.4 |
Redundancy | 6.57 | 6.27 | 6.199 |
CC(1/2) | 0.999 | 0.999 | 0.745 |
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 |