7G0R
Crystal Structure of human FABP4 in complex with 4-methoxy-1,2-benzoxazol-3-amine
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 | 2011-08-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.597, 53.786, 74.863 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.430 - 1.030 |
R-factor | 0.1524 |
Rwork | 0.151 |
R-free | 0.17850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.022 |
RMSD bond angle | 2.153 |
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] | 37.430 | 37.430 | 1.060 |
High resolution limit [Å] | 1.030 | 4.610 | 1.030 |
Rmerge | 0.053 | 0.031 | 1.340 |
Rmeas | 0.058 | 0.034 | 1.453 |
Total number of observations | 433697 | ||
Number of reflections | 65923 | 864 | 4799 |
<I/σ(I)> | 14.09 | 59.53 | 1.24 |
Completeness [%] | 99.9 | 99.7 | 99.9 |
Redundancy | 6.59 | 5.924 | 6.698 |
CC(1/2) | 0.999 | 0.999 | 0.571 |
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 |