3KKIExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-17 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 70.621, 177.443, 70.677 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.810 - 1.800 |
| R-factor | 0.209 |
| Rwork | 0.207 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bs0 |
| RMSD bond length | 0.006 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 82364 | |
| <I/σ(I)> | 25.036 | 5.137 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 9.4 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 1.25 M AMMONIUM SULFATE, 100 MM BIS -TRIS PROPANE, 10 MM DITHIOTHREITOL, 50 UM AMINO-CAI-1, 0.1% (V/V) DIMETHYL SULFOXIDE, PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 296K |
