2RDR
Crystal Structure of PtlH with Fe/oxalylglycine bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-12-26 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.769, 70.564, 48.023 |
| Unit cell angles | 90.00, 113.17, 90.00 |
Refinement procedure
| Resolution | 27.570 - 1.700 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.191 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO (1.2) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.076 | 0.029 | 0.524 |
| Number of reflections | 30519 | ||
| <I/σ(I)> | 8.1 | ||
| Completeness [%] | 98.5 | 93.1 | 100 |
| Redundancy | 2.5 | 2.7 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop | 7.5 | 282 | 100mM HEPES, 200mM MgCl2, 20% PEG 3350, pH 7.5, sitting drop, temperature 282K |
