7FXW
Crystal Structure of human FABP4 in complex with 5,6-dichloro-3-(2-chlorophenyl)-1H-indole-2-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 | 2011-11-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000380 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.135, 53.723, 75.058 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.690 - 1.180 |
R-factor | 0.1423 |
Rwork | 0.140 |
R-free | 0.18180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.026 |
RMSD bond angle | 2.340 |
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] | 43.690 | 43.690 | 1.210 |
High resolution limit [Å] | 1.180 | 5.280 | 1.180 |
Rmerge | 0.080 | 0.040 | 0.861 |
Rmeas | 0.087 | 0.044 | 1.015 |
Total number of observations | 230553 | ||
Number of reflections | 43455 | 580 | 3121 |
<I/σ(I)> | 8.69 | 24.73 | 1.39 |
Completeness [%] | 99.6 | 99.3 | 98.8 |
Redundancy | 5.31 | 6.05 | 3.43 |
CC(1/2) | 0.997 | 0.998 | 0.554 |
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 |