7G0Y
Crystal Structure of human FABP4 in complex with 2-(2-methoxyanilino)benzoic 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) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.472, 53.861, 75.143 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.820 - 0.990 |
R-factor | 0.1372 |
Rwork | 0.136 |
R-free | 0.16120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.026 |
RMSD bond angle | 2.517 |
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] | 30.810 | 30.820 | 1.020 |
High resolution limit [Å] | 0.990 | 4.430 | 0.990 |
Rmerge | 0.047 | 0.018 | 1.614 |
Rmeas | 0.050 | 0.020 | 1.760 |
Total number of observations | 480344 | ||
Number of reflections | 74217 | 960 | 5435 |
<I/σ(I)> | 13.89 | 73.04 | 1.12 |
Completeness [%] | 99.9 | 99.2 | 99.9 |
Redundancy | 6.53 | 5.848 | 6.32 |
CC(1/2) | 1.000 | 1.000 | 0.492 |
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 |