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 |
