1TI1
crystal structure of a mutant DsbA
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 | 2003-12-04 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 62 |
| Unit cell lengths | 57.160, 57.160, 109.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.500 - 2.600 |
| Rwork | 0.247 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dsb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.700 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.059 | 0.242 |
| Number of reflections | 6211 | |
| <I/σ(I)> | 8 | 3.3 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 6.9 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 281 | PEG 8000, Bicine, DDM, MPD, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K |
