7FXG
Crystal Structure of human FABP4 in complex with 2-chloro-4,6-bis(trifluoromethylsulfanyl)phenol
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 | 2011-11-21 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.427, 53.653, 75.245 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.690 - 1.120 |
R-factor | 0.1372 |
Rwork | 0.136 |
R-free | 0.16000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.023 |
RMSD bond angle | 2.310 |
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] | 43.680 | 43.690 | 1.150 |
High resolution limit [Å] | 1.120 | 5.010 | 1.120 |
Rmerge | 0.029 | 0.017 | 0.218 |
Rmeas | 0.030 | 0.019 | 0.244 |
Total number of observations | 309027 | ||
Number of reflections | 50760 | 682 | 3266 |
<I/σ(I)> | 24.79 | 73.27 | 6.27 |
Completeness [%] | 98.9 | 99.6 | 88 |
Redundancy | 6.09 | 6.066 | 4.599 |
CC(1/2) | 1.000 | 1.000 | 0.962 |
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 |