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 |