8S1K
Crystal Structure of human FABP4 in complex with 2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
This is a non-PDB format compatible entry.
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 | 2013-06-10 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 31.988, 53.400, 72.131 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.919 - 1.220 |
R-factor | 0.1729 |
Rwork | 0.171 |
R-free | 0.20750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.009 |
RMSD bond angle | 1.259 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1391) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.920 | 42.919 | 1.250 |
High resolution limit [Å] | 1.220 | 5.460 | 1.220 |
Rmerge | 0.085 | 0.044 | 1.225 |
Rmeas | 0.093 | 0.048 | 1.338 |
Total number of observations | 223150 | ||
Number of reflections | 36560 | 502 | 2451 |
<I/σ(I)> | 9.02 | 21.16 | 1.21 |
Completeness [%] | 97.1 | 98.4 | 89.3 |
Redundancy | 6.104 | 5.793 | 6.084 |
CC(1/2) | 0.998 | 0.998 | 0.545 |
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 |