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 |