7FWC
Crystal Structure of human FABP4 in complex with 5-(4-chlorophenyl)-2-(hydroxymethylene)cyclohexane-1,3-dione
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 | 2011-12-08 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000020 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.354, 54.036, 75.087 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.560 - 1.120 |
R-factor | 0.1375 |
Rwork | 0.136 |
R-free | 0.16180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.023 |
RMSD bond angle | 2.207 |
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] | 37.540 | 37.560 | 1.150 |
High resolution limit [Å] | 1.120 | 5.010 | 1.120 |
Rmerge | 0.038 | 0.021 | 0.501 |
Rmeas | 0.039 | 0.023 | 0.567 |
Total number of observations | 303749 | ||
Number of reflections | 50959 | 677 | 3323 |
<I/σ(I)> | 17.02 | 55.38 | 2.76 |
Completeness [%] | 99.2 | 99 | 88.3 |
Redundancy | 5.98 | 6.222 | 4.261 |
CC(1/2) | 1.000 | 0.999 | 0.826 |
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 |