Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 291 |
| Detector technology | CCD |
| Collection date | 2013-10-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 212.020, 434.570, 623.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.320 - 2.900 |
| R-factor | 0.186 |
| Rwork | 0.186 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ybb |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.001 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.324 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.208 | 1.686 |
| Number of reflections | 1077740 | |
| <I/σ(I)> | 6.71 | 0.23 |
| Completeness [%] | 77.3 | 5.4 |
| Redundancy | 6.39 | 1.03 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 291 | PEG8k, MPD, KSCN |
| 1 | MICROBATCH | 6.5 | 291 | PEG8k, MPD, KSCN |
