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 |