Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-11-12 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 61 |
| Unit cell lengths | 62.540, 62.540, 82.640 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.300 - 2.050 |
| R-factor | 0.19391 |
| Rwork | 0.190 |
| R-free | 0.26772 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.787 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.300 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.067 | 0.340 |
| Number of reflections | 11575 | |
| <I/σ(I)> | 2.2 | |
| Completeness [%] | 99.9 | 98.7 |
| Redundancy | 5.8 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 292 | protein at 5mg/ml, inhibitor:protein = 5:1, reservoir: 0.6M NaCl, 0.1M MES, drops: 2+1ul, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
