5M31
Macrodomain of Thermus aquaticus DarG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-04 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.98999 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.600, 45.020, 35.540 |
| Unit cell angles | 90.00, 101.25, 90.00 |
Refinement procedure
| Resolution | 41.160 - 1.670 |
| R-factor | 0.17343 |
| Rwork | 0.172 |
| R-free | 0.20345 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m3e |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.566 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.160 | 1.710 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.055 | 0.691 |
| Number of reflections | 18354 | |
| <I/σ(I)> | 18.2 | 2 |
| Completeness [%] | 96.6 | 79 |
| Redundancy | 6.5 | 4.9 |
| CC(1/2) | 0.771 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 8% (w/v) PEG 20000, 8% (w/v) PEG 500 MME, 200 mM potassium thiocyanate, 100 mM sodium acetate (pH5.5) |
