8R4L
CSP1 M48L mutant without Iodide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.579, 41.755, 53.739 |
| Unit cell angles | 90.00, 95.59, 90.00 |
Refinement procedure
| Resolution | 38.168 - 2.000 |
| Rwork | 0.220 |
| R-free | 0.27060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.616 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.170 | 38.170 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.117 | ||
| Rmeas | 0.160 | ||
| Rpim | 0.108 | ||
| Number of reflections | 14161 | 14161 | 1017 |
| <I/σ(I)> | 6.7 | ||
| Completeness [%] | 99.0 | ||
| Redundancy | 3.2 | 2.3 | 2.7 |
| CC(1/2) | 0.989 | 0.982 | 0.328 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M Tris-Bicine pH 8.5 plus 14% v/v 2-methyl-2,4 pentanediol (racemic), 14% w/v PEG 1000, 14% w/v PEG 3350, 0.03 M MgCl2 and 0.03 M CaCl2 |
