7G0S
Crystal Structure of human FABP4 in complex with 2,3-bis(phenylmethoxy)benzoic 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 | 2010-11-20 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.292, 53.697, 75.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.680 - 1.020 |
R-factor | 0.146 |
Rwork | 0.145 |
R-free | 0.16900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.021 |
RMSD bond angle | 2.141 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.840 | 37.680 | 1.050 |
High resolution limit [Å] | 1.020 | 4.560 | 1.020 |
Rmerge | 0.050 | 0.017 | 1.193 |
Rmeas | 0.055 | 0.019 | 1.295 |
Total number of observations | 443585 | ||
Number of reflections | 67563 | 874 | 4930 |
<I/σ(I)> | 17.4 | 80.23 | 1.53 |
Completeness [%] | 99.9 | 99 | 99.8 |
Redundancy | 6.566 | 6.162 | 6.598 |
CC(1/2) | 1.000 | 1.000 | 0.632 |
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 |