5E5S
I-SmaMI K103A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.589, 68.199, 97.652 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.290 |
| R-factor | 0.1928 |
| Rwork | 0.190 |
| R-free | 0.25132 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lox |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.765 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.460 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.701 | |
| Number of reflections | 18618 | |
| <I/σ(I)> | 14.5 | 3.3 |
| Completeness [%] | 98.7 | 94.8 |
| Redundancy | 12.7 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 28 - 32 % PEG550MME, HEPES, MgCl2 |
