Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-05 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97876 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.710, 121.380, 88.670 |
| Unit cell angles | 90.00, 99.99, 90.00 |
Refinement procedure
| Resolution | 31.226 - 2.150 |
| R-factor | 0.1662 |
| Rwork | 0.164 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fp2 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 31.226 | 31.226 | 2.210 |
| High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
| Rmerge | 0.052 | 0.019 | 0.461 |
| Rmeas | 0.061 | 0.022 | 0.535 |
| Total number of observations | 221537 | ||
| Number of reflections | 57764 | 649 | 4233 |
| <I/σ(I)> | 18.47 | 54.81 | 2.78 |
| Completeness [%] | 98.7 | 94.6 | 98.6 |
| Redundancy | 3.835 | 3.487 | 3.889 |
| CC(1/2) | 0.999 | 0.999 | 0.846 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | ButhA.00160.a.B2.PS01793 at 20 mg/ml was setup 1:1 with 0.8 M lithium sulfate monohydrate and 0.1 M sodium acetate Crystals were cryoprotected with 20% ethylene glycol |
