6W2Q
Junction 34, DHR53-DHR4
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 | 2016-09-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.934, 57.578, 71.729 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.901 - 1.800 |
R-factor | 0.2038 |
Rwork | 0.201 |
R-free | 0.22640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Computational design model |
RMSD bond length | 0.003 |
RMSD bond angle | 0.491 |
Data reduction software | HKL-2000 (2.3.10) |
Data scaling software | HKL-2000 (2.3.10) |
Phasing software | PHASER (2.7.18) |
Refinement software | PHENIX (dev-2611) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.780 |
High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
Rmerge | 0.070 | 0.030 | 1.741 |
Rmeas | 0.076 | 0.033 | 1.930 |
Rpim | 0.029 | 0.013 | 0.817 |
Total number of observations | 124942 | ||
Number of reflections | 18766 | 1054 | 920 |
<I/σ(I)> | 7.9 | ||
Completeness [%] | 99.4 | 99.3 | 99.4 |
Redundancy | 6.7 | 6.4 | 5.3 |
CC(1/2) | 0.999 | 0.280 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295.15 | Crystals were grown in Qiagen JCSG Core III suite condition G5 (0.2M calcium chloride dihydrate, 20% (w/v) PEG 3500). Crystals were briefly soaked in crystallization condition supplemented with 25% (v/v) PEG 400 as a cryoprotectant |