4CNG
Crystal structure of Sulfolobus acidocaldarius TrmJ in complex with S-adenosyl-L-Homocysteine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-23 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 45.803, 54.097, 130.637 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.260 - 1.100 |
| R-factor | 0.16273 |
| Rwork | 0.162 |
| R-free | 0.18458 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cnf |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.547 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.000 | 1.200 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.060 | 0.940 |
| Number of reflections | 128921 | |
| <I/σ(I)> | 9.5 | 1.2 |
| Completeness [%] | 97.5 | 93.3 |
| Redundancy | 4.1 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.2M KBR, 0.1 M NA-ACETATE PH 5.5, 20% PEG2000MME |
