Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-11 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.47 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.954, 78.954, 210.022 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.657 - 1.900 |
| R-factor | 0.18 |
| Rwork | 0.179 |
| R-free | 0.20740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hcn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.575 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11rc2_2531: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.660 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 53499 | |
| <I/σ(I)> | 9.9 | 1.8 |
| Completeness [%] | 99.7 | 96.1 |
| Redundancy | 24.3 | 11.1 |
| CC(1/2) | 0.990 | 0.720 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.3M Sodium nitrate, 0.3 Sodium phosphate dibasic, 0.3M Ammonium sulfate 1 M Sodium HEPES; 1 M MOPS (acid) 40% v/v Ethylene glycol; 20 % w/v PEG 8000 |
