2GZB
Bauhinia bauhinioides cruzipain inhibitor (BbCI)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 2002-11-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.009, 41.299, 63.523 |
| Unit cell angles | 90.00, 98.44, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.2012 |
| Rwork | 0.199 |
| R-free | 0.24402 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Bauhinia bauhinioides kallikrein inhibitor (to be published) |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.025 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.820 | 2.060 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.082 | 0.430 |
| Number of reflections | 37751 | |
| <I/σ(I)> | 7 | 1.7 |
| Completeness [%] | 95.2 | 91.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 288 | pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
