Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-11 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.682, 123.096, 130.845 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.640 - 4.200 |
| R-factor | 0.335 |
| Rwork | 0.333 |
| R-free | 0.37340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ayf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.282 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 53.640 | 53.640 | 4.700 |
| High resolution limit [Å] | 4.200 | 9.390 | 4.200 |
| Rmerge | 0.251 | 0.069 | 7.681 |
| Rmeas | 0.261 | 0.073 | 7.954 |
| Rpim | 0.070 | 0.021 | 2.053 |
| Number of reflections | 11511 | 1121 | 3218 |
| <I/σ(I)> | 5.5 | ||
| Completeness [%] | 99.9 | 99.1 | 99.9 |
| Redundancy | 14.4 | 12.2 | 14.9 |
| CC(1/2) | 0.998 | 0.998 | 0.264 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 283.15 | PEG 400, cadmium chloride, magnesium chloride, 2-(N-morpholino)ethanesulfonic acid |
