4IEB
Crystal Structure of a Gly128Met mutant of the toxoplasma CDPK, TGME49_101440
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97935 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.174, 96.684, 102.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.390 - 2.050 |
| R-factor | 0.1765 |
| Rwork | 0.174 |
| R-free | 0.21690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.452 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
| Rmerge | 0.060 | 0.040 | 0.255 |
| Number of reflections | 31956 | ||
| <I/σ(I)> | 12.5 | 6.57 | |
| Completeness [%] | 99.2 | 98.8 | 86.1 |
| Redundancy | 7.1 | 6.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 293 | 14% PEG3350, 0.3 M MgAcetate, 0.1 M Glycine pH 9.5, 5 mM CaCl2, 2 mM MgCl2, 5 mM AMPPNP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
