1XE3
Crystal Structure of purine nucleoside phosphorylase DeoD from Bacillus anthracis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-04-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54189 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.861, 128.257, 223.565 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.240 |
| R-factor | 0.18369 |
| Rwork | 0.181 |
| R-free | 0.23523 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ecp |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.538 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.320 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.141 | 0.502 |
| Number of reflections | 81257 | |
| <I/σ(I)> | 1.84 | |
| Completeness [%] | 90.9 | 82 |
| Redundancy | 3.9 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | PEG 400, magnesium chloride, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |
