3BOA
Crystal structure of yeast protein disulfide isomerase.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-05-30 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 116.921, 123.154, 75.721 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.810 - 3.700 |
| R-factor | 0.2442 |
| Rwork | 0.239 |
| R-free | 0.33984 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b5e |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.180 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.760 |
| High resolution limit [Å] | 3.700 | 3.700 |
| Number of reflections | 6049 | |
| <I/σ(I)> | 18.3 | 2.1 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 5.6 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 100mM NaCacodylate 6.5, 0.35M MgCl2, 29% PEG2000 MME, 1mM BaCl2 , VAPOR DIFFUSION, HANGING DROP, temperature 295K |
