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CRYSTAL STRUCTURE OF METHANOBACTERIUM THERMOAUTOTROPHICUM CONSERVED PROTEIN MTH1020 REVEALS AN NTN-HYDROLASE FOLD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-08-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 107.033, 107.033, 87.051 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.500 - 2.200 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.24800 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 24.600 * |
| Data reduction software | DENZO |
| Data scaling software | SDMS |
| Phasing software | SOLVE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.340 |
| High resolution limit [Å] | 2.200 | 2.250 * |
| Rmerge | 0.049 | 0.374 * |
| Total number of observations | 113676 * | |
| Number of reflections | 13025 | |
| <I/σ(I)> | 35.6 | |
| Completeness [%] | 99.0 | 96.5 |
| Redundancy | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 20 * | Christendat, D., (2000) J.Biol.Chem., 275, 24608. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | MPD | 14 (%) | |
| 2 | 1 | reservoir | magnesium acetate | 0.2 (M) | |
| 3 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |
