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 |