1OC8
TRYPAREDOXIN II FROM C.FASCICULATA SOLVED BY MR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 111.745, 111.745, 56.547 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.500 |
| R-factor | 0.21118 |
| Rwork | 0.210 |
| R-free | 0.23500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qk8 |
| RMSD bond length | 0.022 * |
| RMSD bond angle | 1.860 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.045 | 0.354 * |
| Total number of observations | 469429 * | |
| Number of reflections | 57687 | |
| <I/σ(I)> | 37.6 | 2.1 |
| Completeness [%] | 99.7 | 95.5 |
| Redundancy | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | pH 6.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG8000 | 15 (%(w/v)) | |
| 3 | 1 | reservoir | sodium cacodylate | 30 (mM) | pH6.5 |
| 4 | 1 | reservoir | dithiothreitol | 5 (mM) | |
| 5 | 1 | reservoir | ammonium sulfate | 60 (mM) |
