3TL6
Crystal structure of purine nucleoside phosphorylase from Entamoeba histolytica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9765 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 97.970, 86.560, 102.560 |
Unit cell angles | 90.00, 117.88, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.650 |
R-factor | 0.2149 |
Rwork | 0.213 |
R-free | 0.25720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3occ |
RMSD bond length | 0.008 |
RMSD bond angle | 1.225 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.720 | |
High resolution limit [Å] | 2.650 | 11.850 | 2.650 |
Rmerge | 0.067 | 0.027 | 0.506 |
Number of reflections | 43802 | 517 | 3233 |
<I/σ(I)> | 14.52 | 35.24 | 2.9 |
Completeness [%] | 98.7 | 95.9 | 99.2 |
Redundancy | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | EnhiA.01033.a.MB1 PW30575 at 24.4 mg/mL against JCSG+ screen condition H7: 0.2 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5, 25% PEG3350, with 20% ethylene glycol as cryoprotectant, crystal tracking ID 218267h7, VAPOR DIFFUSION, SITTING DROP, temperature 289K |