7G08
Crystal Structure of human FABP4 in complex with 2-(3-chloro-2-methylanilino)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 | 2011-08-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.575, 53.974, 75.144 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.840 - 0.990 |
R-factor | 0.151 |
Rwork | 0.150 |
R-free | 0.17440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.020 |
RMSD bond angle | 2.117 |
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] | 43.840 | 43.840 | 1.020 |
High resolution limit [Å] | 0.990 | 4.430 | 0.990 |
Rmerge | 0.038 | 0.016 | 1.314 |
Rmeas | 0.041 | 0.018 | 1.429 |
Total number of observations | 483255 | ||
Number of reflections | 72715 | 963 | 4999 |
<I/σ(I)> | 17.67 | 83.99 | 1.29 |
Completeness [%] | 97.5 | 99.1 | 91.9 |
Redundancy | 6.52 | 5.798 | 6.321 |
CC(1/2) | 1.000 | 1.000 | 0.541 |
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 |