3PXX
Crystal structure of carveol dehydrogenase from Mycobacterium avium bound to nicotinamide adenine dinucleotide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97946 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.470, 147.510, 83.240 |
| Unit cell angles | 90.00, 102.49, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.21440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.501 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 | |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.068 | 0.024 | 0.369 |
| Number of reflections | 121812 | 1404 | 8066 |
| <I/σ(I)> | 12.42 | 31.6 | 2.5 |
| Completeness [%] | 98.1 | 97.6 | 88.2 |
| Redundancy | 3.6 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | MyavA01326iA1 PS00693 at 36.4 mg/mL against JCSG+ screen condition A5, 0.2 M MgFormate, 20% PEG 3350 with 25% ethylene glycol as cryo-protectant, Crystal tracking ID 216974a5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
