3KZY
Crystal structure of SNAP-tag
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 112.535, 112.535, 64.823 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.200 - 1.900 |
| R-factor | 0.20706 |
| Rwork | 0.204 |
| R-free | 0.26135 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eh6 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.548 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CCP4 (Phaser) |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.574 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.071 | 0.505 |
| Number of reflections | 33201 | |
| <I/σ(I)> | 25.3 | 3.4 |
| Completeness [%] | 99.7 | 98.8 |
| Redundancy | 12.4 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 34% PEG 3350, 100mM BisTris pH 5.5, 500mM NaCl , VAPOR DIFFUSION, HANGING DROP, temperature 291K |
