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 |