2C0N
Crystal Structure of A197 from STIV
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL1-5 |
| Synchrotron site | SSRL |
| Beamline | BL1-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-15 |
| Detector | ADSC CCD |
| Wavelength(s) | 0.978445, 0.879301 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.422, 70.560, 81.266 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.260 - 1.860 |
| R-factor | 0.172 |
| Rwork | 0.171 |
| R-free | 0.20400 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.545 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.930 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.050 | 0.180 |
| Number of reflections | 15646 | |
| <I/σ(I)> | 18.2 | 4.1 |
| Completeness [%] | 95.5 | 99.1 |
| Redundancy | 8.6 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | HANGING DROP VAPOR DIFFUSION IN 0.1 M MES(PH 6.5), 1.4 M (NH4)2SO4, 10% 1,4-DIOXANE; THEN CRYOPROTECTED BY A QUICK SOAK IN MOTHER LIQUOR PLUS 25% GLUCOSE. |
