Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97670 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 92.707, 100.557, 114.017 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.160 - 1.900 |
| R-factor | 0.17537 |
| Rwork | 0.173 |
| R-free | 0.22079 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3D1T |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.992 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.160 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.047 | 0.355 |
| Number of reflections | 41832 | |
| <I/σ(I)> | 36.17 | 2.05 |
| Completeness [%] | 99.2 | |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | (PEG 6000, 10-16%), LiCl (1-1.4 M), Tris (50 mM, pH 9.0) and Tris-Cl (50 mM, pH 7.0). Enzym sample prepared at 10 mg/mL in 50 mM Tris-HCl, 50 mM KCl, 1 mM DTT, pH 8.0 |
