2UU8
X-ray structure of Ni, Ca concanavalin A at Ultra-high resolution (0. 94A)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-15 |
| Detector | ADSC CCD |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 88.867, 86.049, 61.539 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.230 - 0.940 |
| R-factor | 0.12 |
| R-free | 0.14200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nls |
| RMSD bond length | 0.018 |
| RMSD bond angle | 0.037 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5) |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.230 | 0.990 |
| High resolution limit [Å] | 0.940 | 0.940 |
| Rmerge | 0.090 | 0.330 |
| Number of reflections | 136027 | |
| <I/σ(I)> | 11.84 | 1.98 |
| Completeness [%] | 89.2 | 54.4 |
| Redundancy | 6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
