2XWK
SiaP R147A mutant in complex with Neu5Ac
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 | MARMOSAIC 225 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.750, 74.750, 87.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.360 - 1.490 |
R-factor | 0.11248 |
Rwork | 0.110 |
R-free | 0.16357 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v4c |
RMSD bond length | 0.014 |
RMSD bond angle | 1.452 |
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] | 28.360 | 1.570 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.110 | 0.610 |
Number of reflections | 51332 | |
<I/σ(I)> | 13.8 | 4.2 |
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, 15 MM NEU5AC, PH 8.0) AND EQUAL VOLUME OF RESERVOIR SOLUTION (100MM MES PH 6.0 28.5% PEG 6K,100MM SODIUM MALONATE (PH 7.0)); TEMPERATURE 277K |