4ZXK
Carbohydrate binding domain from Streptococcus pneumoniae NanA sialidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-28 |
Detector | RIGAKU |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.234, 66.984, 66.792 |
Unit cell angles | 90.00, 92.43, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.840 |
R-factor | 0.1647 |
Rwork | 0.162 |
R-free | 0.20820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2sli |
RMSD bond length | 0.021 |
RMSD bond angle | 1.988 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK (HKL2000) |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.870 |
High resolution limit [Å] | 1.840 | 4.990 | 1.840 |
Rmerge | 0.031 | 0.023 | 0.069 |
Total number of observations | 72568 | ||
Number of reflections | 29236 | ||
<I/σ(I)> | 49.1 | ||
Completeness [%] | 96.8 | 95.1 | 73.9 |
Redundancy | 2.5 | 2.6 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293.15 | DL-malic acid, MES, tris base, PEG 1500 valine |