1O8X
Mutant tryparedoxin-I Cys43Ala
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 | 2000-06-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.699, 50.934, 70.367 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.990 - 1.300 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.22800 * |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1qk8 |
| RMSD bond length | 0.012 * |
| RMSD bond angle | 1.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.350 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.045 * | 0.439 * |
| Total number of observations | 261452 * | |
| Number of reflections | 35022 | |
| <I/σ(I)> | 18.6 | 1.8 |
| Completeness [%] | 96.6 | 88.9 |
| Redundancy | 7.5 * | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.2 | 4 * | Alphey, M.S., (1999) J. Struct. Biol., 126, 76. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 9.0 (mg/ml) | |
| 2 | 1 | reservoir | PEG2000 MME | 30 (%) | |
| 3 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.2 |
| 4 | 1 | reservoir | dimethyl sulfoxide | 1 (%) |
