4NCY
In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.392, 58.186, 66.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.770 - 1.420 |
| R-factor | 0.11915 |
| Rwork | 0.118 |
| R-free | 0.13849 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i8g |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.785 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.770 | |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.043 | 0.043 |
| Number of reflections | 38155 | |
| <I/σ(I)> | 46.31 | 46.31 |
| Completeness [%] | 99.9 | 99.86 |
| Redundancy | 5.9 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | In situ crystallization on micromesh | 7 | 277 | 30mg/ml+10mg/ml Benzenmidine in 20mM HEPES pH 7 and 10mM CaCl2; precipitant is 20% PEG 8000 + 200mM AmSO4 + 100mM Bis-Tris, In situ crystallization on micromesh, temperature 277K |
