3QGN
The allosteric E*-E equilibrium is a key property of the trypsin fold
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-01-13 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.179, 47.980, 52.011 |
| Unit cell angles | 90.00, 94.31, 90.00 |
Refinement procedure
| Resolution | 31.000 - 2.100 |
| R-factor | 0.1914 |
| Rwork | 0.189 |
| R-free | 0.23950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3jz1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.321 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (from ccp4) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.370 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.310 | 2.100 |
| Rmerge | 0.105 | 0.124 | 0.160 |
| Number of reflections | 17583 | ||
| <I/σ(I)> | 13.3 | 9.9 | 6.6 |
| Completeness [%] | 98.5 | 97.7 | 97.3 |
| Redundancy | 4.3 | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 295 | 0.2 M NH4I and 20 % PEG 3350, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
