7FXM
Crystal Structure of human FABP4 in complex with 5-cyclohexyl-2-hydroxybenzoic 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 | 2011-10-31 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.426, 53.773, 74.757 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.650 - 1.190 |
R-factor | 0.2104 |
Rwork | 0.209 |
R-free | 0.24660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.023 |
RMSD bond angle | 2.043 |
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] | 43.650 | 43.650 | 1.220 |
High resolution limit [Å] | 1.190 | 5.320 | 1.190 |
Rmerge | 0.089 | 0.068 | 0.874 |
Rmeas | 0.099 | 0.074 | 1.004 |
Total number of observations | 180513 | ||
Number of reflections | 39966 | 563 | 2594 |
<I/σ(I)> | 7.79 | 23.59 | 1.31 |
Completeness [%] | 93.4 | 98.4 | 83 |
Redundancy | 4.517 | 6.039 | 3.588 |
CC(1/2) | 0.996 | 0.995 | 0.538 |
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 |