3T3Z
Human Cytochrome P450 2E1 in complex with pilocarpine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-30 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 41 |
| Unit cell lengths | 100.638, 100.638, 259.453 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.980 - 2.350 |
| R-factor | 0.22049 |
| Rwork | 0.217 |
| R-free | 0.28051 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.629 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (MR) |
| Refinement software | REFMAC (6.1.13) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.000 | 2.410 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.105 | 0.221 |
| Number of reflections | 102444 | |
| <I/σ(I)> | 6.6 | 2.6 |
| Completeness [%] | 95.9 | 84.3 |
| Redundancy | 3.76 | 2.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 298 | 8% PEG MME 2000, 12% isopropanol, and 0.1 M NaHEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
