7FXQ
Crystal Structure of human FABP4 in complex with 2-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)acetic 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 | 2011-12-08 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000020 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.344, 53.944, 75.042 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.530 - 1.120 |
R-factor | 0.1314 |
Rwork | 0.130 |
R-free | 0.15700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.021 |
RMSD bond angle | 2.142 |
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] | 37.520 | 37.530 | 1.150 |
High resolution limit [Å] | 1.120 | 5.010 | 1.120 |
Rmerge | 0.072 | 0.056 | 0.399 |
Rmeas | 0.076 | 0.062 | 0.451 |
Total number of observations | 304371 | ||
Number of reflections | 50943 | 677 | 3308 |
<I/σ(I)> | 13.52 | 30.17 | 4.59 |
Completeness [%] | 99.1 | 99 | 88.6 |
Redundancy | 5.93 | 6.064 | 4.33 |
CC(1/2) | 0.998 | 0.995 | 0.915 |
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 |