1U6K
TLS refinement of the structure of Se-methionine labelled Coenzyme f420-dependent methylenetetrahydromethanopterin dehydrogenase (MTD) from Methanopyrus kandleri
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9792, 0.9797, 0.95 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 120.100, 151.200, 110.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.550 |
| Rwork | 0.178 |
| R-free | 0.19546 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.778 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.620 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.075 | 0.257 |
| Number of reflections | 145808 | |
| <I/σ(I)> | 17.7 | 3.9 |
| Completeness [%] | 99.1 | 99.9 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | MOPS, KOH, MPD, PEG 400, Mg acetate, Na phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
