4H0O
Crystal Structure of Acetate Kinase from Entamoeba histolytica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 98.885, 126.874, 145.559 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.319 - 2.400 |
| R-factor | 0.1809 |
| Rwork | 0.179 |
| R-free | 0.22430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g99 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.832 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.319 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 44735 | |
| <I/σ(I)> | 15.6 | 3 |
| Completeness [%] | 99.3 | 93.7 |
| Redundancy | 7.7 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | 0.6 M potassium/sodium tartrate, 10 mM iron(III) chloride, 50 mM ADA, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
