2Q5W
The X-ray Crystal Structure of Molybdopterin Synthase from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-03-26 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.922, 45.754, 41.772 |
| Unit cell angles | 90.00, 93.36, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.15087 |
| Rwork | 0.149 |
| R-free | 0.19321 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fm0 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.551 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.033 | 0.065 |
| Number of reflections | 16442 | |
| <I/σ(I)> | 29 | |
| Completeness [%] | 94.8 | 71.4 |
| Redundancy | 3.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 295 | 2.0 M Sodium Formate, 0.1 M Sodium Acetate, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
