3TCR
Crystal structure of a molybdopterin biosynthesis protein from Mycobacterium abscessus
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 | 2011-05-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9774 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 173.445, 173.445, 173.445 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.174 |
| Rwork | 0.173 |
| R-free | 0.20070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rfq |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.533 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.350 |
| High resolution limit [Å] | 2.280 | 5.220 | 2.280 |
| Rmerge | 0.128 | 0.047 | 0.435 |
| Number of reflections | 19650 | ||
| <I/σ(I)> | 17.6 | 5.2 | |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 8.6 | 8.5 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | MyabA.00778.a.A1 PS00955 at 78 mg/mL Tris pH 7.5 against JCSG+ condition C12 10% PEG 1000 and 10% PEG 8000 with 25% ethylene glycol as cryo-protection reagent, crystal tracking ID 219940c12, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
