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 | 2012-12-11 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 46.088, 45.553, 113.002 |
| Unit cell angles | 90.00, 100.35, 90.00 |
Refinement procedure
| Resolution | 23.724 - 2.001 |
| R-factor | 0.2039 |
| Rwork | 0.201 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5gj3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.245 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.080 | 0.026 | 0.438 |
| Rmeas | 0.092 | 0.030 | 0.503 |
| Rpim | 0.044 | 0.015 | 0.243 |
| Total number of observations | 129249 | ||
| Number of reflections | 31283 | 1663 | 1484 |
| <I/σ(I)> | 8.4 | ||
| Completeness [%] | 99.5 | 99.8 | 98.7 |
| Redundancy | 4.1 | 4.1 | 3.9 |
| CC(1/2) | 0.998 | 0.822 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 277 | 2% PEG 3350, 0.2 M calcium acetate, and 0.1 M MES pH 6.2 |
