5L24
Structure of CNTnw N149L in the intermediate 2 state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 61 |
| Unit cell lengths | 116.160, 116.160, 274.560 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.643 - 4.100 |
| R-factor | 0.2725 |
| Rwork | 0.271 |
| R-free | 0.29850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5l26 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.059 |
| Data reduction software | iMOSFLM (7.2.1) |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.500 | 4.580 |
| High resolution limit [Å] | 4.100 | 4.110 |
| Rpim | 0.090 | 0.300 |
| Number of reflections | 16202 | |
| <I/σ(I)> | 6.3 | 2.9 |
| Completeness [%] | 98.7 | 89.4 |
| Redundancy | 11 | 9.4 |
| CC(1/2) | 0.910 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 50 mM Mg(OAc)2, 30% PEG400 |
