7FY2
Crystal Structure of human FABP4 in complex with 2-chloro-5-pyrrol-1-ylbenzoic 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 | 2011-10-17 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.256, 53.717, 75.128 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.560 - 1.120 |
R-factor | 0.1477 |
Rwork | 0.146 |
R-free | 0.17100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.022 |
RMSD bond angle | 2.179 |
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] | 37.560 | 37.560 | 1.150 |
High resolution limit [Å] | 1.120 | 5.020 | 1.120 |
Rmerge | 0.053 | 0.035 | 0.473 |
Rmeas | 0.055 | 0.038 | 0.523 |
Total number of observations | 306208 | ||
Number of reflections | 48077 | 670 | 2884 |
<I/σ(I)> | 16.67 | 43.56 | 3.93 |
Completeness [%] | 94.7 | 98.8 | 77.8 |
Redundancy | 6.09 | 6.166 | 5.262 |
CC(1/2) | 0.998 | 0.998 | 0.909 |
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 |