5NYL
Crystal structure of an atypical poplar thioredoxin-like2.1 active site mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2011-10-30 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 57.650, 36.300, 100.150 |
| Unit cell angles | 90.00, 91.10, 90.00 |
Refinement procedure
| Resolution | 33.380 - 1.500 |
| R-factor | 0.1794 |
| Rwork | 0.178 |
| R-free | 0.20830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | wild-type atypical trx-like2.1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.380 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.042 | 0.431 |
| Rpim | 0.039 | 0.410 |
| Number of reflections | 32801 | 1377 |
| <I/σ(I)> | 14.5 | 2 |
| Completeness [%] | 98.0 | 83.8 |
| Redundancy | 3.4 | 2.3 |
| CC(1/2) | 0.999 | 0.719 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M Na3 citrate, 20%(w/v) 2-propanol, 20%(w/v) PEG 4K |
