3QMP
Selenium SAD structure solution of proteinase K grown in SO4-less solution and soaked in selenate.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-25 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9788 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 67.967, 67.967, 102.215 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.810 - 1.100 |
R-factor | 0.10352 |
Rwork | 0.103 |
R-free | 0.11867 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.398 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | REFMAC (5.5.0087) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.120 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.118 | 0.549 |
Number of reflections | 97410 | |
<I/σ(I)> | 32.8 | 6.5 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 15 | 14.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | UL OF 40 MG/ML PROTEIN AND 1 UL OF WELL SOLUTION: 10 MM CACL2, 500 MM NANO3, 100 MM NA CACODYLATE. Crystal soaked in 33 % (V/V) glycerol, 0.33 M NaSeO4 and 33 % (V/V) mother liquor., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |