6NF7
Crystal Structure of RT1.Aa-Bu31-10
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.954 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.046, 205.860, 100.673 |
Unit cell angles | 90.00, 103.25, 90.00 |
Refinement procedure
Resolution | 47.864 - 2.900 |
R-factor | 0.2109 |
Rwork | 0.207 |
R-free | 0.27480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ed3 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.756 |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.864 | 47.864 | 2.990 |
High resolution limit [Å] | 2.900 | 11.960 | 2.900 |
Rmerge | 0.248 | 0.052 | 0.786 |
Rpim | 0.136 | ||
Number of reflections | 52956 | 747 | 4499 |
<I/σ(I)> | 7.8 | ||
Completeness [%] | 94.5 | 90.5 | 92.9 |
Redundancy | 4.2 | 4.3 | 3.3 |
CC(1/2) | 0.885 | 0.995 | 0.418 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 277 | 0.1 M Bis-Tris-Propane pH 6.6, 28% PEG 8000 and 0.2 M Mg2SO4 |