6SEL
Multicrystal structure of Thermolysin at room temperature using a multilayer monochromator.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE VMXi |
| Synchrotron site | Diamond |
| Beamline | VMXi |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2019-02-13 |
| Detector | DECTRIS EIGER2 X 4M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 93.558, 93.558, 130.591 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 81.020 - 2.200 |
| R-factor | 0.1331 |
| Rwork | 0.129 |
| R-free | 0.16900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5a3y |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.961 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.080 | 2.090 | 2.050 |
| High resolution limit [Å] | 2.200 | 2.040 | 2.000 |
| Rmerge | 0.132 | 0.770 | 0.832 |
| Rmeas | 0.142 | 1.089 | 1.128 |
| Rpim | 0.050 | 0.770 | 0.613 |
| Number of reflections | 17779 | 1178 | 758 |
| <I/σ(I)> | 14 | 1.1 | 1.1 |
| Completeness [%] | 100.0 | 74 | 44.4 |
| Redundancy | 14 | 1.7 | 2.4 |
| CC(1/2) | 0.998 | 0.498 | 0.442 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | Protein dissolved in 50 mM MES pH 6.0, 45% (v/v) DMSO to a concentration of 100 mg/ ml. Equal amounts of the protein solution and a solution containing 50 mM MES pH 6.0, 1.0 M NaCl, 45% (v/v) DMSO were mixed and equilibrated over a well containing 35% (v/v) saturated solution of ammonium sulphate. |
