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 | 2015-06-26 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.992 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 17.760, 28.820, 42.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.000 - 1.450 |
| R-factor | 0.121 |
| Rwork | 0.121 |
| R-free | 0.17200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p4j |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.610 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.086 | 0.482 |
| Rmeas | 0.096 | 0.577 |
| Rpim | 0.041 | 0.308 |
| Number of reflections | 4084 | 357 |
| <I/σ(I)> | 15.5 | 1.6 |
| Completeness [%] | 98.2 | 87.9 |
| Redundancy | 5.5 | 2.9 |
| CC(1/2) | 0.794 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.6 UL 0.4 MM D(CGCGCG)2 SOLUTION MIXED WITH 1.2UL OF THE PRECIPITANT SOLUTION CONSISTING OF 10 MM CACL2, 40 MM NA CACODYLATE PH 6.0, 10% MPD, EQUILIBRATED AGAINST THE WELL SOLUTION OF 35 % MPD, 6 MM SPERMIDINE |
