6W3G
Rd1NTF2_04 with long sheet
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 | 2018-03-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.999989 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.578, 36.814, 177.303 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.326 - 1.620 |
| R-factor | 0.213 |
| Rwork | 0.211 |
| R-free | 0.23990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Computational design model |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.631 |
| Data reduction software | XDS (Jun 17, 2015) |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (dev-3084) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.330 | 44.330 | 1.650 |
| High resolution limit [Å] | 1.620 | 8.870 | 1.620 |
| Rmerge | 0.040 | 0.014 | 1.864 |
| Rmeas | 0.045 | 0.017 | 2.092 |
| Rpim | 0.020 | 0.008 | 0.934 |
| Total number of observations | 132988 | 747 | 6538 |
| Number of reflections | 28154 | 213 | 1361 |
| <I/σ(I)> | 18.5 | 61.2 | 0.9 |
| Completeness [%] | 99.8 | 95.2 | 99.9 |
| Redundancy | 4.7 | 3.5 | 4.8 |
| CC(1/2) | 1.000 | 0.999 | 0.241 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | Protein solution concentration: 48.7mg/mL diluted 1:1 in 0.12M 1,6-Hexanediol; 0.12M 1-Butanol; 0.12M 1,2-Propanediol; 0.12M 2- Propanol; 0.12M 1,4-Butanediol; 0.12M 1,3-Propanediol, 0.1M Imidazole/MES monohydrate (acid), pH 6.5, and 50% v/v of 40% v/v PEG 500 MME; 20 % w/v PEG 20000 |
