4HSQ
Crystal Structure of Domains D2 and D3 of the Major Pilin SpaD from Corynebacterium diphtheriae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2009-08-31 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.992, 81.335, 92.371 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.860 - 1.870 |
R-factor | 0.159 |
Rwork | 0.157 |
R-free | 0.18990 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | BUSTER (2.8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.860 | 1.970 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.087 | 0.534 |
Number of reflections | 23142 | |
<I/σ(I)> | 9.6 | |
Completeness [%] | 99.9 | 97.9 |
Redundancy | 39.8 | 35.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 47% 2-methyl-2,4-pentanediol, 2% t-butanol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |