6D3Z
Protease SFTI complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-09-29 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 63 |
Unit cell lengths | 121.928, 121.928, 40.548 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.910 - 2.000 |
R-factor | 0.1686 |
Rwork | 0.167 |
R-free | 0.20290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 5UGG & 1SFI |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 105.593 | 40.548 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.058 | 1.349 | |
Rmeas | 0.284 | 0.060 | 1.383 |
Rpim | 0.062 | 0.013 | 0.303 |
Total number of observations | 501103 | 15899 | 72026 |
Number of reflections | 23643 | 807 | 3433 |
<I/σ(I)> | 11.2 | 24.4 | 3.1 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 21.2 | 19.7 | 21 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 0.1 M sodium acetate, 1 M sodium formate |