6DGE
Crystal structure of the dimethylarginine dimethylaminohydrolase adduct with N5-(1-imino-2-chloroethyl)-L-lysine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 41 |
| Unit cell lengths | 55.242, 55.242, 89.478 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.005 - 1.910 |
| R-factor | 0.2166 |
| Rwork | 0.215 |
| R-free | 0.25070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3i2e |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.864 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.940 |
| High resolution limit [Å] | 1.910 | 5.180 | 1.910 |
| Rmerge | 0.072 | 0.031 | 0.500 |
| Number of reflections | 20872 | 1079 | 1028 |
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 7.5 | 7.4 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 277 | 20% PEG 3350 0.2 M NaCl |
