3EC3
Crystal structure of the bb fragment of ERp72
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Detector technology | CCD |
| Collection date | 2006-07-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9799, 0.9796, 0.9646 |
| Spacegroup name | P 31 |
| Unit cell lengths | 62.171, 62.171, 135.004 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.480 - 1.920 |
| R-factor | 0.19011 |
| Rwork | 0.188 |
| R-free | 0.23613 |
| Structure solution method | MAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.556 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.990 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.033 | 0.358 |
| Number of reflections | 42162 | |
| <I/σ(I)> | 20.6 | 3.5 |
| Completeness [%] | 99.4 | 95.2 |
| Redundancy | 2.8 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 18% PEG MME 2000, 25% glycerol, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
