1SIO
Structure of Kumamolisin-As complexed with a covalently-bound inhibitor, AcIPF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.370, 238.730, 49.250 |
| Unit cell angles | 90.00, 113.70, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.173 |
| R-free | 0.24270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gt9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.032 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 93159 | |
| <I/σ(I)> | 23 | |
| Completeness [%] | 97.0 | 76.8 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | PEG 8000, Ammonium sulfate, DTT, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
