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 |
