7FYD
Crystal Structure of human FABP5 in complex with 6-chloro-4-phenyl-2-propan-2-ylquinoline-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 | 2011-01-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 61.876, 61.876, 74.547 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.610 - 1.450 |
R-factor | 0.202 |
Rwork | 0.201 |
R-free | 0.22270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.021 |
RMSD bond angle | 1.887 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0093) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.610 | 47.610 | 1.490 |
High resolution limit [Å] | 1.450 | 6.480 | 1.450 |
Rmerge | 0.066 | 0.025 | 2.325 |
Rmeas | 0.069 | 0.026 | 2.431 |
Total number of observations | 327093 | ||
Number of reflections | 26023 | 371 | 1878 |
<I/σ(I)> | 20.41 | 60.74 | 1.18 |
Completeness [%] | 98.6 | 99.5 | 97.9 |
Redundancy | 12.569 | 11.733 | 11.777 |
CC(1/2) | 1.000 | 1.000 | 0.738 |
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 |