4XED
PKD domain of M14-like peptidase from Thermoplasmatales archaeon SCGC AB-540-F20
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 | 2014-03-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97924 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 46.186, 48.869, 78.509 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.900 - 1.230 |
R-factor | 0.1394 |
Rwork | 0.138 |
R-free | 0.16870 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.435 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.250 |
High resolution limit [Å] | 1.230 | 1.230 |
Rmerge | 0.116 | 0.480 |
Number of reflections | 25859 | |
<I/σ(I)> | 12.81 | 1.98 |
Completeness [%] | 98.4 | 89.4 |
Redundancy | 3.6 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 289 | 0.2 M Ca acetate, 0.1 M Na acetate/acetic acid pH 4.5, 30% PEG 400 |