7S4Z
Serial Macromolecular Crystallography at ALBA Synchrotron Light Source - Proteinase K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2018-09-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 68.400, 68.400, 108.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.210 - 1.900 |
R-factor | 0.16664 |
Rwork | 0.165 |
R-free | 0.19559 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ic6 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.513 |
Data reduction software | CrystFEL (v0.10.0) |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.400 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 21010 | 2033 |
<I/σ(I)> | 17.4 | 0.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3757 | 315 |
CC(1/2) | 0.999 | 0.226 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 298 | 0.1 M MES pH 6.5, 0.5 sodium citrate, 0.1 M calcium chloride |