6UGK
CRYSTAL STRUCTURE OF CIRCULARLY PERMUTED HUMAN TASPASE-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-25 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.97856 |
Spacegroup name | P 65 |
Unit cell lengths | 60.300, 60.300, 319.010 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.410 - 2.150 |
R-factor | 0.161 |
Rwork | 0.159 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a8j |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (DEV_2328) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.410 | 2.200 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.078 | 0.520 |
Rmeas | 0.086 | 0.044 |
Total number of observations | 206406 | |
Number of reflections | 35513 | 412 |
<I/σ(I)> | 15.24 | 3.74 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 5.8 | 5.8 |
CC(1/2) | 0.998 | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | human taspase-1 VCID 11900 at 9.23 mg/mL in 20 mM HEPES pH 8, 0.5 M NaCl, 5% glycerol against PACT B11 optimization screen containing 16% PEG 6000, 0.1 M MES pH 5.8, 0.2 M calcium chloride supplemented with 20% ethylene glycol as a cryo-protectant, crystal tracking ID 271056c2, unique puck ID izc9-6 |