6UAI
Imidazole-triggered RAS-specific subtilisin SUBT_BACAM complexed with YSAM peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-15 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.640, 58.640, 125.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.500 - 1.200 |
R-factor | 0.1101 |
Rwork | 0.109 |
R-free | 0.12490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1spb |
RMSD bond length | 0.021 |
RMSD bond angle | 2.176 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.32) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.640 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.103 | 0.118 |
Rmeas | 0.105 | 0.120 |
Rpim | 0.022 | 0.025 |
Total number of observations | 1584187 | 77451 |
Number of reflections | 69948 | 3429 |
<I/σ(I)> | 30.6 | 25.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 22.6 | 22.6 |
CC(1/2) | 0.997 | 0.996 |
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 |