1PSZ
PNEUMOCOCCAL SURFACE ANTIGEN PSAA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE M18X |
| Temperature [K] | 108 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-06-15 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.024, 66.517, 69.838 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.178 * |
| Rwork | 0.178 |
| R-free | 0.23600 |
| Structure solution method | MIR |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.027 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.110 | 0.390 |
| Number of reflections | 19354 | |
| <I/σ(I)> | 12.4 | 3.4 |
| Completeness [%] | 99.5 | 99.6 * |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 291 * | Pilling, P.A., (1998) Acta Crystallogr., Sect.D, 54, 1464. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium potassium phosphate | 3.0 (M) | pH7.5 |
| 2 | 1 | drop | MES | 0.1 (M) | pH6.5 |
| 3 | 1 | drop | 0.1 (M) | ||
| 4 | 1 | reservoir | sodium potassium phosphate | 3.0 (M) | pH7.5 |
| 5 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
| 6 | 1 | reservoir | 0.1 (M) |
