2RDQ
Crystal Structure of PtlH with Fe/alpha ketoglutarate bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-17 |
| Detector | ADSC |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.817, 70.869, 48.769 |
| Unit cell angles | 90.00, 98.21, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.310 |
| R-factor | 0.179 |
| Rwork | 0.178 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.216 |
| 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] | 35.000 | 35.000 | 1.360 |
| High resolution limit [Å] | 1.310 | 2.820 | 1.310 |
| Rmerge | 0.058 | 0.035 | 0.354 |
| Number of reflections | 64628 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 83.3 | 74.8 | 85.9 |
| Redundancy | 1.5 | 1.6 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop | 8.5 | 282 | 100mM Tris, 200mM MgCl2, 20% PEG 3350, pH 8.5, sitting drop, temperature 282K |
