7FWI
Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)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 | 2010-11-30 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.431, 38.443, 80.320 |
Unit cell angles | 90.00, 100.60, 90.00 |
Refinement procedure
Resolution | 39.470 - 2.000 |
R-factor | 0.2295 |
Rwork | 0.227 |
R-free | 0.27300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.930 | 40.930 | 2.040 |
High resolution limit [Å] | 1.990 | 5.510 | 1.990 |
Rmerge | 0.161 | 0.058 | 0.781 |
Total number of observations | 131660 | ||
Number of reflections | 22364 | 1120 | 1286 |
<I/σ(I)> | 4.69 | 11.84 | 1.06 |
Completeness [%] | 98.0 | 97.6 | 97 |
Redundancy | 3.29 | 3.09 | 3.39 |
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 |