6UAO
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with the peptide EEYSAM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2017-08-22 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.510, 58.510, 125.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.410 - 1.630 |
R-factor | 0.1507 |
Rwork | 0.149 |
R-free | 0.18040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1spb |
RMSD bond length | 0.012 |
RMSD bond angle | 1.715 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.32) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.730 | 1.660 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.090 | 0.777 |
Rmeas | 0.093 | 0.808 |
Rpim | 0.025 | 0.222 |
Total number of observations | 378181 | 17640 |
Number of reflections | 28012 | 1337 |
<I/σ(I)> | 20.6 | 2.8 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 13.5 | 13.2 |
CC(1/2) | 0.999 | 0.872 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.1 M TRIS pH 8.0, 0.2 M NaCl, 20% PEG 6K |