4C3V
Extensive counter-ion interactions with subtilisin in aqueous medium, no Cs soak
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX10.1 |
Synchrotron site | SRS |
Beamline | PX10.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-01 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.891, 55.075, 75.311 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.760 - 2.260 |
R-factor | 0.16274 |
Rwork | 0.160 |
R-free | 0.22581 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wuw |
RMSD bond length | 0.016 |
RMSD bond angle | 1.840 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.070 | 0.240 |
Number of reflections | 10628 | |
<I/σ(I)> | 55.61 | 14.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.1 | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SUBTILISIN CARLSBERG WAS PURCHASED FROM SIGMA (PRODUCT CODE: P5380) AND USED FOR CRYSTALLIZATION WITHOUT FURTHER PURIFICATION. THE PROTEIN POWDER WAS DISSOLVED IN 330 MM NA CACODYLATE BUFFER AT PH 5.6 TO A CONCENTRATION OF 10 MG/ML. SUBTILISIN WAS CRYSTALLIZED BY THE BATCH METHOD FROM BUFFER SOLUTION SATURATED WITH NA2SO4 13% (W/V) AS PRECIPITANT1. LONG NEEDLE-LIKE CRYSTALS GREW OVER A PERIOD OF TWO WEEKS TO TYPICAL DIMENSIONS 50 X 50 X 400 UM X UM X UM. |