7G1Q
Crystal Structure of human FABP5 in complex with (1S,2R)-2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylic 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 | 2011-01-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 62.724, 62.724, 75.485 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.350 - 1.240 |
R-factor | 0.1717 |
Rwork | 0.170 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.024 |
RMSD bond angle | 2.116 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0093) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.350 | 44.350 | 1.270 |
High resolution limit [Å] | 1.240 | 5.550 | 1.240 |
Rmerge | 0.087 | 0.058 | 1.956 |
Rmeas | 0.090 | 0.060 | 2.083 |
Total number of observations | 552062 | ||
Number of reflections | 43255 | 591 | 3018 |
<I/σ(I)> | 14.76 | 39.4 | 1.02 |
Completeness [%] | 99.7 | 99.7 | 96.4 |
Redundancy | 12.763 | 11.465 | 8.387 |
CC(1/2) | 0.999 | 0.998 | 0.361 |
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 |