Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-06-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.951, 71.525, 106.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.940 - 2.100 |
| R-factor | 0.201 |
| Rwork | 0.200 |
| R-free | 0.22580 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1pmn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNX |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 19586 | |
| <I/σ(I)> | 10 | 3 |
| Completeness [%] | 95.6 | 80.1 |
| Redundancy | 7.8 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG MME 550, ETHYLENE GLYCOL, HEPES |
