7FX8
Crystal Structure of human FABP4 in complex with 4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]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 | 2012-05-05 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999980 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.425, 54.209, 74.764 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.900 - 1.120 |
R-factor | 0.1323 |
Rwork | 0.131 |
R-free | 0.14920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.020 |
RMSD bond angle | 1.888 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.890 | 43.900 | 1.150 |
High resolution limit [Å] | 1.120 | 5.010 | 1.120 |
Rmerge | 0.032 | 0.018 | 0.379 |
Rmeas | 0.033 | 0.019 | 0.422 |
Total number of observations | 305555 | ||
Number of reflections | 50453 | 682 | 3090 |
<I/σ(I)> | 24.14 | 76.92 | 3.86 |
Completeness [%] | 98.1 | 99.6 | 82.4 |
Redundancy | 5.99 | 6.12 | 4.777 |
CC(1/2) | 1.000 | 0.999 | 0.904 |
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 |