7G0H
Crystal Structure of human FABP4 in complex with (2R,3S)-2-(phenoxymethyl)-1-phenyl-pyrrolidine-3-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 | 2012-02-27 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.999850 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.667, 53.528, 74.591 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.480 - 1.460 |
R-factor | 0.1331 |
Rwork | 0.130 |
R-free | 0.19320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.018 |
RMSD bond angle | 1.966 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0018) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.490 | 43.480 | 1.500 |
High resolution limit [Å] | 1.460 | 6.530 | 1.460 |
Rmerge | 0.076 | 0.046 | 0.851 |
Rmeas | 0.084 | 0.051 | 0.976 |
Total number of observations | 142032 | ||
Number of reflections | 23233 | 321 | 1484 |
<I/σ(I)> | 13.4 | 31.2 | 1.95 |
Completeness [%] | 98.5 | 99.1 | 86.9 |
Redundancy | 6.07 | 5.128 | 3.98 |
CC(1/2) | 0.998 | 0.997 | 0.631 |
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 |