3DNF
Structure of (E)-4-Hydroxy-3-methyl-but-2-enyl Diphosphate Reductase, the Terminal Enzyme of the Non-Mevalonate Pathway
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.983 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.370, 87.760, 72.400 |
| Unit cell angles | 90.00, 95.13, 90.00 |
Refinement procedure
| Resolution | 9.900 - 1.650 |
| R-factor | 0.19429 |
| Rwork | 0.193 |
| R-free | 0.22605 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.455 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 9.900 | 1.700 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 78765 | |
| <I/σ(I)> | 15.94 | 3.29 |
| Completeness [%] | 87.2 | 53.4 |
| Redundancy | 3.571 | 2.356 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 10 % (w/w) PEG 8000, 0,1 M Tris-HCl, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
