4NS1
Crystal structure of purine nucleoside phosphorylase from Porphyromonas gingivalis ATCC 33277, NYSGRC Target 30972
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | I 21 3 |
Unit cell lengths | 218.904, 218.904, 218.904 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.640 |
R-factor | 0.172 |
Rwork | 0.171 |
R-free | 0.18620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lna |
RMSD bond length | 0.008 |
RMSD bond angle | 1.250 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.1) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.670 |
High resolution limit [Å] | 1.640 | 4.450 | 1.640 |
Rmerge | 0.087 | 0.026 | 0.844 |
Number of reflections | 210759 | ||
<I/σ(I)> | 9.6 | ||
Completeness [%] | 99.8 | 99.4 | 99.6 |
Redundancy | 4.9 | 4.9 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | Crystallization - MCSG1-A5: 0.2 M sodium chloride, 0.1 M sodium acetete/acetic acid, pH 4.5, 1.26 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |