3L00
Crystal structure of benzylated SNAP-tag
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-29 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979653 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 77.770, 77.770, 64.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.350 - 1.700 |
| R-factor | 0.18509 |
| Rwork | 0.184 |
| R-free | 0.20917 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kzy |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.311 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CCP4 (Phaser) |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.073 | 0.367 |
| Number of reflections | 22465 | |
| <I/σ(I)> | 21.59 | 4.68 |
| Completeness [%] | 99.4 | 97.8 |
| Redundancy | 7.6 | 7.59 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 34% PEG 3350, 100mM BisTris pH 6.5, 400mM NaCl , VAPOR DIFFUSION, HANGING DROP, temperature 291K |
