Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-02 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.780, 67.733, 94.544 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.200 - 1.710 |
| R-factor | 0.1833 |
| Rwork | 0.182 |
| R-free | 0.21112 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2peq |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.592 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.200 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.047 | 0.430 |
| Number of reflections | 31245 | |
| <I/σ(I)> | 29.9 | 2.2 |
| Completeness [%] | 96.2 | 71.8 |
| Redundancy | 5.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 292 | 0.1M sodium acetate, 1.0M 1,6-hexanediol, 0.01M cobalt(II) chloride, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
