1P4T
Crystal structure of Neisserial surface protein A (NspA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 97.372, 97.372, 171.939 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 * - 2.550 |
| R-factor | 0.22664 |
| Rwork | 0.225 |
| R-free | 0.25800 * |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.770 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.640 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.070 | 0.375 |
| Total number of observations | 125566 * | |
| Number of reflections | 10350 | 1029 * |
| <I/σ(I)> | 19 | 5.2 |
| Completeness [%] | 98.6 | 99.7 |
| Redundancy | 12.1 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 4 * | 0.06% n-decylpentaoxyethylene (c10e5), 12% (w/v) PEG 3000, 0.1 M lithium sulfate, 0.1 M N-(2-acetamido)iminodiacetic acid (ADA), 2% (v/v) isopropanol, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6 (mg/ml) | |
| 2 | 1 | drop | C10E5 | 0.06 (%(w/v)) | |
| 3 | 1 | reservoir | PEG3000 | 12 (%(w/v)) | |
| 4 | 1 | reservoir | lithium sulfate | 0.1 (M) | |
| 5 | 1 | reservoir | ADA | 0.1 (M) | pH6.6 |
| 6 | 1 | reservoir | isopropanol | 2 (%(v/v)) |
