6BVH
Trypsin complexed with a modified sunflower trypsin inhibitor, SFTI-TCTR(N12,N14)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ELLIOTT GX-13 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-08-11 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.680, 63.240, 69.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.660 - 1.927 |
| R-factor | 0.1334 |
| Rwork | 0.132 |
| R-free | 0.15820 |
| Data reduction software | MOSFLM (7.2.0) |
| Data scaling software | Aimless (0.5.12) |
| Refinement software | PHENIX (1.13rc1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.240 | 1.970 |
| High resolution limit [Å] | 1.927 | 1.930 |
| Rmerge | 0.035 | 0.063 |
| Rmeas | 0.041 | 0.075 |
| Rpim | 0.021 | 0.040 |
| Number of reflections | 20647 | 1331 |
| <I/σ(I)> | 27.1 | |
| Completeness [%] | 98.0 | 95.2 |
| Redundancy | 3.6 | 3.5 |
| CC(1/2) | 0.998 | 0.993 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 50 mM MES, 50 mM benzamidine, 1mM CaCl2 |
