4BNR
Extremely stable complex of crayfish trypsin with bovine trypsin inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-29 |
| Detector | ADSC CCD |
| Spacegroup name | H 3 |
| Unit cell lengths | 138.980, 138.980, 93.370 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.896 - 2.000 |
| R-factor | 0.1511 |
| Rwork | 0.149 |
| R-free | 0.18220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f91 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.902 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.900 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.060 | 0.570 |
| Number of reflections | 45201 | |
| <I/σ(I)> | 18.3 | 2 |
| Completeness [%] | 98.1 | 83.2 |
| Redundancy | 5.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 293 | 10.6 MG/ML PROTEIN, 33 (W/V)% PEG 4000, 0.1 M SODIUM CITRATE PH 5.6, 0.2 M AMMONIUM ACETATE, 1:1 MIXING, 20 C |
