4R7Z
PfMCM-AAA double-octamer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 124.956, 127.082, 128.025 |
| Unit cell angles | 71.85, 72.82, 80.39 |
Refinement procedure
| Resolution | 48.370 - 3.800 |
| R-factor | 0.301 |
| Rwork | 0.301 |
| R-free | 0.31400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | placement of 16 copies of the ATPase domain of 4FDG (Slaymaker et al. 2013) |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.940 |
| High resolution limit [Å] | 3.800 | 3.800 |
| Number of reflections | 69970 | |
| <I/σ(I)> | 8.3 | 2.41 |
| Completeness [%] | 98.9 | 97 |
| Redundancy | 3.3 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 300 | 6 mg/mL PfMCM-AAA; 5 mM ADP; 50 mM MgCl2; 18 mM Hepes, pH 7.6; 180 mM NaCl; 4.5 mM 2-mercaptoethanol mixed 1:1 with 50 mM sodium cacodylate, pH 6.0; 50 mM magnesium acetate; 30% MPD; 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
