6Q3T
Structure of Protease1 from Pyrococcus horikoshii at room temperature in ChipX microfluidic device
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2018-04-10 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.2 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 125.560, 125.560, 133.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.790 - 2.150 |
R-factor | 0.1638 |
Rwork | 0.163 |
R-free | 0.18470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1g2i |
RMSD bond length | 0.012 |
RMSD bond angle | 1.095 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.790 | 2.210 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.169 | |
Rpim | 0.038 | |
Number of reflections | 57690 | |
<I/σ(I)> | 12 | |
Completeness [%] | 98.7 | |
Redundancy | 19 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | COUNTER-DIFFUSION | 293 | 2.0 to 3.4M Sodium Malonate pH 6.0, 10mM Xo4 |