7FWK
Crystal Structure of human FABP4 in complex with 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide
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 | 2012-02-05 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.700030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 32.541, 53.831, 75.267 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.850 - 0.950 |
R-factor | 0.1489 |
Rwork | 0.147 |
R-free | 0.17570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.024 |
RMSD bond angle | 2.214 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0018) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.840 | 30.850 | 0.970 |
High resolution limit [Å] | 0.950 | 4.250 | 0.950 |
Rmerge | 0.046 | 0.024 | 1.492 |
Rmeas | 0.052 | 0.027 | 1.621 |
Total number of observations | 547353 | ||
Number of reflections | 84124 | 1088 | 6139 |
<I/σ(I)> | 14.75 | 59.34 | 1.18 |
Completeness [%] | 99.9 | 99.5 | 99.9 |
Redundancy | 6.53 | 6.158 | 6.51 |
CC(1/2) | 0.999 | 0.999 | 0.530 |
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 |