3DO1
Thermolysin by Classical hanging drop method before high X-Ray dose on ESRF ID14-2 beamline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2007-05-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.93 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 92.526, 92.526, 128.553 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 68.040 - 1.330 |
R-factor | 0.233 |
Rwork | 0.231 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kei |
RMSD bond length | 0.011 |
RMSD bond angle | 1.167 |
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] | 80.130 | 1.380 |
High resolution limit [Å] | 1.330 | 1.310 |
Rmerge | 0.243 | 0.674 |
Total number of observations | 3896 | |
Number of reflections | 64020 | |
<I/σ(I)> | 3 | |
Completeness [%] | 81.0 | 24.1 |
Redundancy | 5.2 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | DMSO, Ammonium sulfate, MES, hanging drop, 293K, pH6.0, VAPOR DIFFUSION, HANGING DROP |