2XWV
SiaP complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-24 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.723, 74.510, 86.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.470 - 1.050 |
| R-factor | 0.12602 |
| Rwork | 0.125 |
| R-free | 0.15023 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.833 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | ACORN |
| Refinement software | REFMAC (5.6.0086) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.000 | 1.110 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.080 | 0.670 |
| Number of reflections | 141294 | |
| <I/σ(I)> | 9.4 | 2 |
| Completeness [%] | 97.6 | 93.2 |
| Redundancy | 4.6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 277 | 35 MG/ML SIAP (IN 20 MM HEPES, 10 MM NACL, 20 MM SIALYLAMIDE STOCK (WITH RESIDUAL NEU5AC, PH 8.0) WITH AN EQUAL VOLUME OF RESERVOIR SOLUTION (100MM MES PH 6.0 28.5% PEG 6K, 4% (V/V) ACETONITRILE); TEMPERATURE 277K. |
