7G1Y
Crystal Structure of human FABP4 in complex with 2-[(3-methoxyphenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic 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) | 0.700010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.271, 53.862, 75.311 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.660 - 0.950 |
R-factor | 0.141 |
Rwork | 0.140 |
R-free | 0.16560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.027 |
RMSD bond angle | 2.513 |
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] | 37.660 | 37.660 | 0.970 |
High resolution limit [Å] | 0.950 | 4.250 | 0.950 |
Rmerge | 0.035 | 0.015 | 1.214 |
Rmeas | 0.038 | 0.017 | 1.320 |
Total number of observations | 543525 | ||
Number of reflections | 83482 | 1078 | 6096 |
<I/σ(I)> | 18.51 | 88.38 | 1.45 |
Completeness [%] | 99.9 | 99.4 | 99.9 |
Redundancy | 6.54 | 6.076 | 6.504 |
CC(1/2) | 1.000 | 1.000 | 0.628 |
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 |