7G1Z
Crystal Structure of human FABP4 in complex with 5-[(4-chloro-3-phenoxyphenyl)methyl]-1H-tetrazole
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 | 2011-10-22 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.235, 53.738, 75.064 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.530 - 1.120 |
R-factor | 0.1415 |
Rwork | 0.140 |
R-free | 0.16410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.022 |
RMSD bond angle | 2.137 |
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] | 37.530 | 37.530 | 1.150 |
High resolution limit [Å] | 1.120 | 5.020 | 1.120 |
Rmerge | 0.033 | 0.016 | 0.417 |
Rmeas | 0.034 | 0.018 | 0.464 |
Total number of observations | 305070 | ||
Number of reflections | 49906 | 670 | 3051 |
<I/σ(I)> | 20.29 | 74.01 | 3.58 |
Completeness [%] | 98.3 | 98.8 | 81.8 |
Redundancy | 6.01 | 6.09 | 4.839 |
CC(1/2) | 1.000 | 1.000 | 0.906 |
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 |