6W3F
Rd1NTF2_05_I64F_A80G_T94P_D101K_L106W
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 | 2018-03-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.978633 |
| Spacegroup name | P 31 |
| Unit cell lengths | 38.510, 38.510, 134.148 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.716 - 1.830 |
| R-factor | 0.22 |
| Rwork | 0.216 |
| R-free | 0.25510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Computational design model |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.837 |
| Data reduction software | XDS (Jun 17, 2015) |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (dev-3112) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.720 | 44.720 | 1.870 |
| High resolution limit [Å] | 1.830 | 8.970 | 1.830 |
| Rmerge | 0.065 | 0.022 | 2.455 |
| Rmeas | 0.075 | 0.025 | 2.827 |
| Rpim | 0.036 | 0.012 | 1.388 |
| Total number of observations | 81919 | 721 | 4864 |
| Number of reflections | 19640 | 175 | 1171 |
| <I/σ(I)> | 10.7 | 44.2 | 0.6 |
| Completeness [%] | 99.9 | 99 | 100 |
| Redundancy | 4.2 | 4.1 | 4.2 |
| CC(1/2) | 0.999 | 0.999 | 0.412 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | Protein solution concentration: 7.7mg/mL diluted 1:1 in 0.09M Sodium nitrate, 0.09 Sodium phosphate dibasic, 0.09M Ammonium sulfate, pH 6.5 0.1M Imidazole/MES monohydrate (acid), %50v/v of 40% v/v PEG 500 MME; 20 % w/v PEG 20000 (Morpheus-HT96 C1) |
