6H75
SiaP A11N in complex with Neu5Ac (RT)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2013-12-12 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.173, 75.485, 88.223 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.170 - 1.450 |
| R-factor | 0.111 |
| Rwork | 0.109 |
| R-free | 0.14562 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.585 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | ACORN |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.170 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.051 | 1.050 |
| Number of reflections | 57587 | 2806 |
| <I/σ(I)> | 14.8 | 1.5 |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 5.3 | 5.3 |
| CC(1/2) | 0.544 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 28.5% PEG 6000, 100 mM MES, 5% Jeffamine, 0.1 M LiCl |
