6W2R
Junction 19, DHR54-DHR79
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-09-07 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9999 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.674, 109.666, 81.011 |
Unit cell angles | 90.00, 107.50, 90.00 |
Refinement procedure
Resolution | 46.386 - 2.344 |
R-factor | 0.2452 |
Rwork | 0.243 |
R-free | 0.27410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Computational design model |
RMSD bond length | 0.003 |
RMSD bond angle | 0.395 |
Data reduction software | HKL-2000 (2.3.10) |
Data scaling software | HKL-2000 (2.3.10) |
Phasing software | PHASER (2.8.0) |
Refinement software | PHENIX (dev-2849) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.390 |
High resolution limit [Å] | 2.344 | 6.370 | 2.350 |
Rmerge | 0.071 | 0.030 | 1.046 |
Rmeas | 0.078 | 0.033 | 1.196 |
Rpim | 0.033 | 0.014 | 0.564 |
Number of reflections | 36576 | 1931 | 1573 |
<I/σ(I)> | 8.2 | ||
Completeness [%] | 97.5 | 99.8 | 84.4 |
Redundancy | 5.5 | 5.9 | 3.9 |
CC(1/2) | 0.999 | 0.509 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 10.5 | 295.15 | Crystals were grown in Qiagen JCSG+ condition E5 (0.1M CAPS pH 10.5, 40% MPD) and required no additional cryopreservation |