Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-05-24 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.047, 73.583, 47.399 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.010 - 2.200 |
| R-factor | 0.238 |
| Rwork | 0.236 |
| R-free | 0.29300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.305 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER (1.3.3) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.020 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.068 | 0.258 |
| Total number of observations | 3735 | |
| Number of reflections | 13187 | |
| <I/σ(I)> | 10.4 | 3.8 |
| Completeness [%] | 98.9 | 97.2 |
| Redundancy | 3.48 | 2.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.2M AMMONIUM SULFATE, 0.1M SODIUM ACETATE PH 4.6, 27% PEG4000 FOLLOWED BY FURTHER EQUILIBRATION AFTER INITIAL CRYSTALLIZATION OVER 0.2M AMMONIUM SULFATE, 0.1M SODIUM ACETATE PH 4.6, 30% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
