Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.719, 80.901, 153.429 |
| Unit cell angles | 90.00, 102.46, 90.00 |
Refinement procedure
| Resolution | 34.560 - 3.000 |
| R-factor | 0.24 |
| Rwork | 0.238 |
| R-free | 0.28170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 3DKB |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.528 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.560 | 34.560 | 3.110 |
| High resolution limit [Å] | 3.000 | 11.620 | 3.000 |
| Rmerge | 0.116 | 0.038 | 1.477 |
| Rpim | 0.056 | 0.687 | |
| Number of reflections | 46536 | ||
| <I/σ(I)> | 9.9 | 1.5 | |
| Completeness [%] | 97.7 | 94.2 | 99.1 |
| Redundancy | 5.3 | 4.8 | 5.6 |
| CC(1/2) | 0.994 | 0.998 | 0.703 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 50 mM CaCl2, 100 mM MES (pH 6.0), 7.5% PEG1500 |
