Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97916 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.021, 121.557, 195.541 |
| Unit cell angles | 90.00, 89.79, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.000 |
| R-factor | 0.2032 |
| Rwork | 0.200 |
| R-free | 0.26230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iqh |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.474 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 6.460 | 3.000 |
| Rmerge | 0.086 | 0.033 | 0.557 |
| Number of reflections | 55848 | ||
| <I/σ(I)> | 9.7 | ||
| Completeness [%] | 92.3 | 90.8 | 94.6 |
| Redundancy | 3.3 | 3.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 291.15 | 0.1 M sodium acetate, 0.05 M magnesium acetate, 0.1 M MES, 7% PEG8000 |
