1KBV
NITRITE-SOAKED CRYSTAL STRUCTURE OF THE SOLUBLE DOMAIN OF ANIA FROM NEISSERIA GONORRHOEAE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-06-12 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.290, 98.095, 102.299 |
| Unit cell angles | 83.89, 74.14, 73.32 |
Refinement procedure
| Resolution | 49.180 - 1.950 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 2.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.059 | 0.139 |
| Total number of observations | 697886 * | |
| Number of reflections | 149119 | 14912 * |
| <I/σ(I)> | 15.1 | 6.3 |
| Completeness [%] | 87.0 | 52.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 22 * | 1.7 M (NH4)2SO4, 0.2 M LiSO4 and 0.1 M CAPS, PH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 1.7 (M) | |
| 2 | 1 | reservoir | 0.2 (M) | ||
| 3 | 1 | reservoir | CAPS | 0.1 (M) | pH10.5 |
| 4 | 1 | drop | protein | 15 (mg/ml) | |
| 5 | 1 | drop | Tris | 10 (mM) | pH7.0 |
