7G0L
Crystal Structure of human FABP4 in complex with 3-[(4-methyl-3-phenoxyphenyl)methyl]-1H-pyrazol-5-ol
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 | 2011-11-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000380 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.627, 53.896, 74.939 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.480 - 1.180 |
R-factor | 0.1435 |
Rwork | 0.142 |
R-free | 0.17220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.022 |
RMSD bond angle | 2.236 |
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] | 37.470 | 37.480 | 1.210 |
High resolution limit [Å] | 1.180 | 5.280 | 1.180 |
Rmerge | 0.047 | 0.031 | 0.633 |
Rmeas | 0.046 | 0.034 | 0.701 |
Total number of observations | 272999 | ||
Number of reflections | 44272 | 586 | 3235 |
<I/σ(I)> | 16.12 | 52.16 | 3.25 |
Completeness [%] | 99.8 | 98.7 | 99.4 |
Redundancy | 6.24 | 5.729 | 5.467 |
CC(1/2) | 0.999 | 0.999 | 0.864 |
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 |