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 |
