Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 48.160, 66.698, 83.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.610 - 1.740 |
| R-factor | 0.194 |
| Rwork | 0.191 |
| R-free | 0.23800 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.523 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.610 | 1.790 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.046 | 0.250 |
| Number of reflections | 27547 | |
| <I/σ(I)> | 38 | 3.7 |
| Completeness [%] | 95.3 | 70.8 |
| Redundancy | 7.1 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 1.8M AMMONIUM SULFATE, 0.1M NA3 CITRATE, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
