7G0Q
Crystal Structure of human FABP4 in complex with 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic 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 | 2012-02-05 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.340, 53.895, 75.136 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.560 - 1.020 |
R-factor | 0.14 |
Rwork | 0.139 |
R-free | 0.16390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.028 |
RMSD bond angle | 2.438 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0018) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.570 | 37.560 | 1.050 |
High resolution limit [Å] | 1.020 | 4.560 | 1.020 |
Rmerge | 0.047 | 0.020 | 1.290 |
Rmeas | 0.050 | 0.022 | 1.411 |
Total number of observations | 439222 | ||
Number of reflections | 67720 | 876 | 4957 |
<I/σ(I)> | 14.61 | 60.06 | 1.45 |
Completeness [%] | 99.9 | 99.2 | 99.9 |
Redundancy | 6.53 | 6.089 | 6.139 |
CC(1/2) | 1.000 | 1.000 | 0.610 |
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 |