7G19
Crystal Structure of human FABP4 in complex with 5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole
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 | 32.465, 53.881, 75.272 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.630 - 1.040 |
R-factor | 0.1606 |
Rwork | 0.159 |
R-free | 0.19160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.027 |
RMSD bond angle | 2.450 |
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] | 37.640 | 37.630 | 1.070 |
High resolution limit [Å] | 1.040 | 4.650 | 1.040 |
Rmerge | 0.065 | 0.022 | 1.627 |
Rmeas | 0.073 | 0.024 | 1.755 |
Total number of observations | 420522 | ||
Number of reflections | 62165 | 824 | 4454 |
<I/σ(I)> | 12.28 | 69.98 | 1.1 |
Completeness [%] | 96.6 | 98.1 | 94.8 |
Redundancy | 6.47 | 6.405 | 7.004 |
CC(1/2) | 1.000 | 0.999 | 0.525 |
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 |