7FXJ
Crystal Structure of human FABP4 in complex with 1-[(4-chlorophenyl)methyl]-3,4-dihydroxy-2H-pyrrol-5-one
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 | 2010-10-19 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.800000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.449, 53.806, 74.976 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.490 - 1.030 |
R-factor | 0.1446 |
Rwork | 0.143 |
R-free | 0.17130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.026 |
RMSD bond angle | 2.335 |
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] | 30.760 | 37.490 | 1.060 |
High resolution limit [Å] | 1.030 | 4.610 | 1.030 |
Rmerge | 0.055 | 0.025 | 1.566 |
Rmeas | 0.060 | 0.027 | 1.702 |
Total number of observations | 418999 | ||
Number of reflections | 65060 | 860 | 4614 |
<I/σ(I)> | 14.26 | 53.65 | 1.23 |
Completeness [%] | 98.9 | 99.5 | 96.4 |
Redundancy | 6.44 | 6.216 | 6.457 |
CC(1/2) | 0.999 | 0.999 | 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 |