3I74
Crystal Structure of the plant subtilisin-like protease SBT3 in complex with a chloromethylketone inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.99994 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 143.730, 143.730, 195.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.990 - 2.600 |
R-factor | 0.25181 |
Rwork | 0.250 |
R-free | 0.29369 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.569 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.800 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.085 | 0.358 |
Number of reflections | 63093 | |
<I/σ(I)> | 15.49 | 5.5 |
Completeness [%] | 99.5 | 99.7 |
Redundancy | 6.5 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 277 | 100 mM Bicine, 2.0 M NaCl, 10% (w/v) PEG 6000, 10 mM hexamminecobalt(III) chloride, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |