3DO2
Thermolysin by LB nanotemplate method after 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 | 92.562, 92.562, 128.712 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.040 - 1.220 |
| R-factor | 0.239 |
| Rwork | 0.238 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dnz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.073 |
| 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] | 80.161 | 1.250 |
| High resolution limit [Å] | 1.194 | 1.180 |
| Rmerge | 0.238 | |
| Total number of observations | 6087 | |
| Number of reflections | 89247 | |
| <I/σ(I)> | 2.9 | |
| Completeness [%] | 84.0 | 30.8 |
| Redundancy | 5.4 | 1.3 |
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 |
