3NWK
A second C2221 form of concanavalin A (Canavalia ensiformis)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 101.518, 118.118, 250.113 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.660 - 2.090 |
| R-factor | 0.1783 |
| Rwork | 0.176 |
| R-free | 0.21191 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nls |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.584 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.130 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.116 | 0.463 |
| Number of reflections | 87288 | |
| <I/σ(I)> | 16.71 | 2.06 |
| Completeness [%] | 98.3 | 81.3 |
| Redundancy | 6.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop vapor diffusion using polymer-induced heteronucleation | 8.5 | 273 | 10 mM Tris, pH 8.5, 1 M ammonium sulfate, hanging drop vapor diffusion using polymer-induced heteronucleation, temperature 273K |
