3I4T
Crystal structure of putative diphthine synthase from Entamoeba histolytica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 84.894, 84.894, 89.402 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.450 - 2.490 |
R-factor | 0.22649 |
Rwork | 0.224 |
R-free | 0.27306 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2egl |
RMSD bond length | 0.009 |
RMSD bond angle | 1.204 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.450 | 2.590 |
High resolution limit [Å] | 2.490 | 2.490 |
Rmerge | 0.114 | 0.689 |
Number of reflections | 11655 | |
<I/σ(I)> | 14 | 2.5 |
Completeness [%] | 97.9 | 99.1 |
Redundancy | 5.9 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 289 | PACT screen condition A6, SPG buffer 0.1 M each succinic acid, phosphate and glycine, 25% PEG 1500, 34.4 mg/mL, crystal tracking ID 203532a6, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |