7RK0
Crystal structure of Thermovibrio ammonificans THI4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 89.889, 89.685, 131.813 |
Unit cell angles | 90.00, 96.98, 90.00 |
Refinement procedure
Resolution | 44.840 - 2.280 |
R-factor | 0.2212 |
Rwork | 0.218 |
R-free | 0.27740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y4n |
RMSD bond length | 0.010 |
RMSD bond angle | 1.299 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.840 | 2.360 |
High resolution limit [Å] | 2.280 | 2.280 |
Number of reflections | 47059 | 4604 |
<I/σ(I)> | 8.23 | |
Completeness [%] | 99.5 | |
Redundancy | 2 | |
CC(1/2) | 0.993 | 0.125 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 100 mM HEPES-NaOH pH 7.5, 200 mM NaCl, 35% 2-methyl-2,4-pentanediol, 10 mM praseodymium acetate hydrate |