Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.072 |
| Spacegroup name | P 32 |
| Unit cell lengths | 36.380, 36.380, 112.140 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.470 - 1.700 |
| R-factor | 0.18076 |
| Rwork | 0.180 |
| R-free | 0.20113 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1shg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.016 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.036 | 0.523 |
| Number of reflections | 17902 | |
| <I/σ(I)> | 23.5 | 3.49 |
| Completeness [%] | 97.9 | 94.4 |
| Redundancy | 5.48 | 5.26 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 2M ammonium sulfate, 20 mM sodium acetate trihydrate, 5mM B-mercaptoethanol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
