2XWO
SiaP R147E mutant in complex with sialylamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-26 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.860, 74.760, 87.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.370 - 1.540 |
| R-factor | 0.13287 |
| Rwork | 0.130 |
| R-free | 0.17891 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v4c |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.555 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (RIGID BODY) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.060 | 1.620 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.120 | 0.970 |
| Number of reflections | 47100 | |
| <I/σ(I)> | 11.9 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 7.3 |
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, PH 8.0) WITH AN EQUIVOLUME OF RESERVOIR SOLUTION (100MM MES PH 6.0 28.5% PEG 6K, 2% (W/V) BENZAMIDINE HYDROCHLORIDE HYDRATE); TEMPERATURE 277K |
