2WAP
3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with the drug-like urea inhibitor PF-3845
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 12.3.1 |
Synchrotron site | ALS |
Beamline | 12.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 102.770, 105.200, 148.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.010 - 2.800 |
R-factor | 0.194 |
Rwork | 0.192 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vya |
RMSD bond length | 0.011 |
RMSD bond angle | 1.581 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.140 | 0.630 |
Number of reflections | 37781 | |
<I/σ(I)> | 9.5 | 2 |
Completeness [%] | 98.8 | 99.5 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | NACL 100MM, PEG4000 12%, MES 100MM PH 6.5 |