3I37
Proteinase K by LB Nanotemplate Method before high X-Ray dose on ID14-2 Beamline at ESRF
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-05-14 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.2 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 67.943, 67.943, 102.378 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.590 - 0.995 |
R-factor | 0.197 |
Rwork | 0.197 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ptk |
RMSD bond length | 0.005 |
RMSD bond angle | 1.065 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.561 | 1.050 |
High resolution limit [Å] | 0.995 | 0.990 |
Rmerge | 0.109 | |
Total number of observations | 10233 | |
Number of reflections | 110415 | |
<I/σ(I)> | 12.5 | 0.6 |
Completeness [%] | 83.7 | 32 |
Redundancy | 6 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20mg/mL in 25mM HEPES, pH7.0 PMSF, VAPOR DIFFUSION, HANGING DROP, temperature 293K |