3E84
Structure-function Analysis of 2-Keto-3-deoxy-D-glycero-D-galacto-nononate-9-phosphate (KDN) Phosphatase Defines a New Clad Within the Type C0 HAD Subfamily
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-05-19 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 82.086, 107.336, 75.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.926 - 1.850 |
R-factor | 0.178 |
Rwork | 0.176 |
R-free | 0.21800 |
Starting model (for MR) | 1k1e |
RMSD bond length | 0.011 |
RMSD bond angle | 1.245 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.064 | 0.506 |
Number of reflections | 57453 | |
<I/σ(I)> | 15.7 | 2.2 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 5.2 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 30% w/v polyethelene glycol (PEG) 4,000, 0.1 M Tris HCl pH 8.5, 0.2 M sodium acetate, 10 mM magnesium chloride and 50 mM sodium tungstate., VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |