4DO3
Structure of FAAH with a non-steroidal anti-inflammatory drug
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0080 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 103.470, 104.370, 147.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.500 - 2.250 |
R-factor | 0.16616 |
Rwork | 0.164 |
R-free | 0.19872 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lj7 |
RMSD bond length | 0.026 |
RMSD bond angle | 2.034 |
Data reduction software | MOSFLM (PACKAGE) |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.500 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.111 | 0.578 |
Number of reflections | 76403 | |
<I/σ(I)> | 15.9 | 4.1 |
Completeness [%] | 99.9 | 98.9 |
Redundancy | 11.6 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 30% PEG400, 100 MM TRIS-HCL, PH 7.5, 100 MM MGCL2, 100 MM NACL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 287K, temperature 290K |