3OC9
Crystal structure of putative UDP-N-acetylglucosamine pyrophosphorylase 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 | 2010-07-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.520, 77.540, 86.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.1909 |
Rwork | 0.189 |
R-free | 0.22660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jv1 molecule A residues 68-407 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.300 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 | |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.046 | 0.020 | 0.529 |
Number of reflections | 48589 | 625 | 3573 |
<I/σ(I)> | 30.45 | 72.7 | 4.4 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 9.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 96.3 mg/mL of EnhiA.01126.b.A1 PS00631 3C cleaved against JCSG+ condition H9, 0.2 M lithium sulfate, 0.1 M BisTris pH 5.5, 25% PEG 3350 with 15% ethylene glycol as cryo-protectant, crystal tracking ID 216241h9, VAPOR DIFFUSION, SITTING DROP, temperature 289K |