Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-05 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.335, 70.507, 67.303 |
| Unit cell angles | 90.00, 92.10, 90.00 |
Refinement procedure
| Resolution | 48.710 - 2.172 |
| R-factor | 0.20345 |
| Rwork | 0.201 |
| R-free | 0.23952 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mj2 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.005 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.710 | 2.260 |
| High resolution limit [Å] | 2.172 | 2.172 |
| Rmerge | 0.123 | 0.718 |
| Number of reflections | 28850 | |
| <I/σ(I)> | 8.35 | 1.71 |
| Completeness [%] | 97.7 | 88.9 |
| Redundancy | 3.5 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2 M magnesium chloride, 0.1 M HEPES, pH 7.5, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
