2RDS
Crystal Structure of PtlH with Fe/oxalylglycine and ent-1-deoxypentalenic acid 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 | 2006-12-14 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 69.951, 89.387, 48.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.650 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.181 |
| 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 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
| Rmerge | 0.031 | 0.022 | 0.219 |
| Number of reflections | 37311 | ||
| <I/σ(I)> | 18.8 | ||
| Completeness [%] | 90.7 | 93.4 | 39.2 |
| Redundancy | 2.2 | 2.3 | 2 |
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 |
