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 31 |
| Unit cell lengths | 81.870, 81.870, 297.343 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.470 - 2.500 |
| R-factor | 0.1633 |
| Rwork | 0.161 |
| R-free | 0.19960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 3DKB |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.541 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.14) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.620 | 40.620 | 2.550 |
| High resolution limit [Å] | 2.500 | 12.500 | 2.500 |
| Rmerge | 0.137 | 0.094 | 0.906 |
| Rmeas | 0.158 | 0.107 | 1.023 |
| Rpim | 0.076 | 0.049 | 0.471 |
| Number of reflections | 76908 | ||
| <I/σ(I)> | 7.8 | 2.2 | |
| Completeness [%] | 99.7 | 91.7 | 100 |
| Redundancy | 4.5 | 4.6 | 4.6 |
| CC(1/2) | 0.929 | 0.980 | 0.713 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 50 mM CaCl2, 100 mM MES (pH 6.0), 5.0 % PEG1500 |
