2ISC
Crystal structure of Purine Nucleoside Phosphorylase from Trichomonas vaginalis with DADMe-Imm-A
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 | 2006-09-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979099 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.402, 113.821, 195.149 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.990 - 2.700 |
| R-factor | 0.202 |
| Rwork | 0.199 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.438 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.133 | 0.636 |
| Number of reflections | 50207 | |
| <I/σ(I)> | 5.1 | 1.72 |
| Completeness [%] | 98.1 | 93.8 |
| Redundancy | 6.9 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.17 M Sodium Acetate, 25.5% PEG 4000, 0.085 M TrisHCL, 15% Glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
