7G04
Crystal Structure of human FABP5 in complex with 7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-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 | 2011-05-07 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.391, 62.906, 74.407 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.040 - 1.400 |
R-factor | 0.1914 |
Rwork | 0.190 |
R-free | 0.21970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.019 |
RMSD bond angle | 1.957 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0112) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.040 | 48.040 | 1.440 |
High resolution limit [Å] | 1.390 | 6.260 | 1.400 |
Rmerge | 0.073 | 0.058 | 1.502 |
Rmeas | 0.074 | 0.063 | 1.626 |
Total number of observations | 386251 | ||
Number of reflections | 58462 | 744 | 4176 |
<I/σ(I)> | 10.33 | 30.24 | 1.25 |
Completeness [%] | 99.6 | 99.3 | 100 |
Redundancy | 6.14 | 6.243 | 6.82 |
CC(1/2) | 0.998 | 0.994 | 0.465 |
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 |