7FZO
Crystal Structure of human FABP4 in complex with 4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-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 | 2011-12-11 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.074, 53.885, 75.609 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.800 - 0.990 |
R-factor | 0.1426 |
Rwork | 0.141 |
R-free | 0.16540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.021 |
RMSD bond angle | 2.206 |
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] | 37.800 | 37.800 | 1.020 |
High resolution limit [Å] | 0.990 | 4.430 | 0.990 |
Rmerge | 0.041 | 0.016 | 1.461 |
Rmeas | 0.046 | 0.018 | 1.583 |
Total number of observations | 482376 | ||
Number of reflections | 73776 | 952 | 5362 |
<I/σ(I)> | 15.19 | 80.42 | 1.38 |
Completeness [%] | 99.9 | 98.8 | 99.7 |
Redundancy | 6.56 | 6.12 | 6.692 |
CC(1/2) | 1.000 | 1.000 | 0.648 |
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 |