1BJJ
AGKISTRODOTOXIN, A PHOSPHOLIPASE A2-TYPE PRESYNAPTIC NEUROTOXIN FROM AGKISTRODON HALYS PALLAS
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.750, 105.800, 110.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| R-factor | 0.194 |
| Rwork | 0.194 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a2a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 25.800 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.851) |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 2.870 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.169 * | |
| Total number of observations | 71221 * | |
| Number of reflections | 24339 | |
| <I/σ(I)> | 6.1 | |
| Completeness [%] | 93.9 | 92.7 |
| Redundancy | 2.8 | 2.67 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8.5 | 291 * | pH 8.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | 0.12 (M) | ||
| 3 | 1 | drop | Tris-HCl | 0.02 (M) | |
| 4 | 1 | reservoir | MPD | 60 (%) |
