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 |