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) |