Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 32 |
| Unit cell lengths | 49.649, 49.649, 232.566 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.600 - 1.650 |
| R-factor | 0.13807 |
| Rwork | 0.136 |
| R-free | 0.17137 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3isz |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.113 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.600 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.056 | |
| Number of reflections | 77006 | |
| <I/σ(I)> | 30 | |
| Completeness [%] | 99.6 | 93.8 |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 289 | 20% (V/V) 1,4-BUTANEDIOL, 0.1M Acetate,, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
