5OL5
Crystal structure of an inactivated Ssp SICLOPPS intein with CFAHPQ extein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 60.120, 92.129, 110.448 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.224 - 2.329 |
R-factor | 0.2331 |
Rwork | 0.231 |
R-free | 0.27590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ol1 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.607 |
Data reduction software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.224 | 2.400 |
High resolution limit [Å] | 2.329 | 2.330 |
Rmerge | 0.189 | |
Number of reflections | 26852 | 2579 |
<I/σ(I)> | 8.1 | |
Completeness [%] | 98.3 | 93.4 |
Redundancy | 14 | 13.1 |
CC(1/2) | 0.998 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 50mM Tris-HCl pH 8.0, 200mM MgCl2, 25%(w/v) PEG 6000 |