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 |