1OC9
TRYPAREDOXIN II FROM C.FASCICULATA solved by MR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 114.296, 114.296, 101.973 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.350 |
| R-factor | 0.19716 |
| Rwork | 0.196 |
| R-free | 0.21300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oc8 |
| RMSD bond length | 0.021 * |
| RMSD bond angle | 1.650 * |
| 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 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.053 | 0.249 |
| Total number of observations | 136117 * | |
| Number of reflections | 28025 | |
| <I/σ(I)> | 29.8 | 9.6 |
| Completeness [%] | 97.5 | 99.9 |
| Redundancy | 4.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | pH 7.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | sodium citrate | 500 (mM) | |
| 3 | 1 | reservoir | HEPES | 30 (mM) | pH7.5 |
| 4 | 1 | reservoir | dithiothreitol | 5 (mM) |
