4ZEL
Human dopamine beta-hydroxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-08-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.00730 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 102.810, 119.060, 224.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.530 - 2.900 |
| R-factor | 0.2315 |
| Rwork | 0.230 |
| R-free | 0.26960 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.457 |
| Data reduction software | xia2 (0.3.5.0) |
| Data scaling software | xia2 |
| Phasing software | SHELXDE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.980 | 63.980 | 2.980 |
| High resolution limit [Å] | 2.900 | 12.970 | 2.900 |
| Rmerge | 0.147 | 0.031 | 1.263 |
| Rpim | 0.068 | 0.016 | 0.561 |
| Total number of observations | 202337 | 2061 | 15396 |
| Number of reflections | 30957 | ||
| <I/σ(I)> | 10.6 | 34.4 | 1.6 |
| Completeness [%] | 99.9 | 97.8 | 99.8 |
| Redundancy | 6.5 | 5.3 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 12% PEG3350, 0.2 M potassium nitrate |
