Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-08 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.621, 48.327, 63.531 |
| Unit cell angles | 96.94, 108.78, 106.70 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.16858 |
| Rwork | 0.166 |
| R-free | 0.22832 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b94 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.780 |
| Data reduction software | iMOSFLM (7.2.1) |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.460 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.051 | 0.238 |
| Number of reflections | 28737 | |
| <I/σ(I)> | 20.3 | 2.7 |
| Completeness [%] | 78.9 | 12 |
| Redundancy | 4.3 | 1.6 |
| CC(1/2) | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 9.4 mg/mL, 3:3 Enzyme:Well, 100 mM HEPES pH 7.5, 8% Ethylene glycol, 7% Polyethylene glycol 8000, 10% glycerol |
