2WQP
Crystal structure of sialic acid synthase NeuB-inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-26 |
| Detector | BMC |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 58.619, 75.744, 77.361 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.750 |
| R-factor | 0.165 |
| Rwork | 0.163 |
| R-free | 0.19600 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.202 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.100 | 0.460 |
| Number of reflections | 35158 | |
| <I/σ(I)> | 12.4 | 2.2 |
| Completeness [%] | 99.3 | 97 |
| Redundancy | 4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | 1.50-1.55 M MALIC ACID, PH 6.2 |
