7G02
Crystal Structure of human FABP4 in complex with 7-methoxy-1-(3-methoxyphenyl)naphthalene-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) | 0.700000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.064, 53.936, 75.313 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.850 - 1.030 |
R-factor | 0.139 |
Rwork | 0.138 |
R-free | 0.15960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.022 |
RMSD bond angle | 2.263 |
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] | 43.850 | 43.850 | 1.060 |
High resolution limit [Å] | 1.030 | 4.610 | 1.030 |
Rmerge | 0.063 | 0.025 | 1.051 |
Rmeas | 0.072 | 0.027 | 1.138 |
Total number of observations | 431623 | ||
Number of reflections | 65457 | 852 | 4738 |
<I/σ(I)> | 13.96 | 67.5 | 1.72 |
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 6.57 | 6.35 | 6.726 |
CC(1/2) | 1.000 | 0.999 | 0.731 |
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 |