Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6B |
| Synchrotron site | PAL/PLS |
| Beamline | 6B |
| Temperature [K] | 100 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.334, 72.044, 50.708 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.100 |
| R-factor | 0.216 |
| Rwork | 0.216 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | UNINHIBITED KSI STRUCTURE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.201 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.090 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.032 | 0.167 |
| Number of reflections | 143835 | |
| <I/σ(I)> | 39 | 3 |
| Completeness [%] | 91.9 | 77.6 |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 20% POLYETHYLENEGLYCOL 4000, 0.1 M SODIUM CITRATE PH 5.6 |
