3PAQ
Surfactant Protein A neck and carbohydrate recognition domain (NCRD) complexed with alpha-methylmannose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 90 |
Detector technology | IMAGE PLATE |
Collection date | 2006-07-07 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 63 |
Unit cell lengths | 97.452, 97.452, 44.848 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.730 - 2.100 |
R-factor | 0.223 |
Rwork | 0.223 |
R-free | 0.24400 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | PDB CODE 1R13 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.038 | 0.379 |
Number of reflections | 14325 | |
<I/σ(I)> | 21.5 | 3.9 |
Completeness [%] | 99.6 | 99.8 |
Redundancy | 4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 1 ul SP-A (10 mg/ml) was mixed with 1 ul reservoir (50 mM sodium cacodylate (pH = 6.5), 1.2-1.6 M lithium sulfate, and 10 mM calcium chloride. After crystals had grown, the drop was diluted about 1/2 with 50 mM sodium cacodylate (pH = 6.5) and 10 mM calcium chloride. Alpha-methylmannose powder was added to the drop and stirred to dissolve. Prior to data collection, the drop was diluted about 1/2 again and more powdered alpha-methylmannose added., VAPOR DIFFUSION, HANGING DROP, temperature 290K |