Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-27 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 67.370, 67.370, 141.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.570 - 2.400 |
| Rwork | 0.252 |
| R-free | 0.29700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.2LDz) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 22.570 | 22.570 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.150 | 2.400 |
| Rmerge | 0.114 | 0.058 | 0.373 |
| Total number of observations | 5811 | 5753 | |
| Number of reflections | 13295 | ||
| <I/σ(I)> | 8.9 | 16 | 3.7 |
| Completeness [%] | 99.7 | 98.8 | 99.8 |
| Redundancy | 4.37 | 4.02 | 4.44 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 295 | Ammonium sulfate, sodium acetate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
