2JBW
Crystal Structure of the 2,6-dihydroxy-pseudo-oxynicotine Hydrolase.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 90.570, 57.020, 152.697 |
| Unit cell angles | 90.00, 103.35, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.23800 |
| Structure solution method | MAD |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.527 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.090 |
| Rmerge | 0.050 | 0.250 |
| Number of reflections | 172409 | |
| <I/σ(I)> | 11.5 | 3.3 |
| Completeness [%] | 99.4 | 98 |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | PROTEINSOLUTION: 50 MM TRIS-HCL PH 7.4, 200 MM NACL, 0.5 M TCEP RESERVOIR: 35% PEG 10000, O.1 M TRIS-HCL PH 8.8 HANGING DROP, MIXED 1:1, MICROSEEDING |
