3H65
The Crystal Structure of C176A Mutated [Fe]-Hydrogenase (Hmd) Holoenzyme in Complex with Methylenetetrahydromethanopterin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9919 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 97.630, 97.630, 165.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.810 - 2.150 |
| R-factor | 0.171 |
| Rwork | 0.170 |
| R-free | 0.20300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3f46 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.740 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.810 | 2.300 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.041 | 0.424 |
| Number of reflections | 21096 | 3430 |
| <I/σ(I)> | 17.4 | 3.6 |
| Completeness [%] | 95.1 | 85.8 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 283 | 50% MPD, 100mM Tris-HCl, 100mM Ammonium dihydrogen phosphate, 1mM DTT, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 283K |
