7Z9F
Human anionic trypsin after autoproteolysis at Arg122
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-09 |
Detector | DECTRIS PILATUS3 S 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.060, 80.790, 87.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.680 - 1.700 |
R-factor | 0.188 |
Rwork | 0.187 |
R-free | 0.21860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1TRN_A |
RMSD bond length | 0.006 |
RMSD bond angle | 0.902 |
Data reduction software | XDS (VERSION Feb 5, 2021) |
Data scaling software | XDS (VERSION Feb 5, 2021) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmeas | 0.169 | 1.252 |
Number of reflections | 47119 | 7342 |
<I/σ(I)> | 11.9 | 2.03 |
Completeness [%] | 99.6 | 97.3 |
Redundancy | 12.9 | 12.8 |
CC(1/2) | 0.999 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1 uL protein (15 mg/mL in 20 mM Hepes pH 7.4, 150 mM NaCl, 1 mM CaCl2) + 1 uL well solution (22% PEG 4000, 0.1 M Hepes pH 7.5, 0.1 M NaAc) |