Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9A |
| Synchrotron site | NSLS |
| Beamline | X9A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-08-27 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 46.651, 20.987, 14.449 |
| Unit cell angles | 90.00, 94.66, 90.00 |
Refinement procedure
| Resolution | 12.710 - 1.050 |
| R-factor | 0.1254 |
| Rwork | 0.125 |
| Structure solution method | AB INITIO PHASING |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.710 | 1.090 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.239 | |
| Number of reflections | 6913 | |
| <I/σ(I)> | 15.5 | 20 |
| Completeness [%] | 93.6 | 99.7 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | ACETIC ACID AND ETHANOL (1:1 V/V) MIXTURE, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
