2WD8
PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00071204
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-08-29 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.640, 89.801, 83.061 |
| Unit cell angles | 90.00, 115.55, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.16187 |
| Rwork | 0.158 |
| R-free | 0.22622 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c7v |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.419 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.560 |
| Number of reflections | 48991 | |
| <I/σ(I)> | 13.5 | 2.4 |
| Completeness [%] | 84.7 | 84.9 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 1.8M NA ACETATE, 0.1M CITRATE BUFFER PH6.0, pH 4.6 |
