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 | 2000-06-02 |
| Detector | SBC-2 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 401.375, 401.375, 175.887 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.000 * - 3.050 |
| R-factor | 0.208 * |
| Rwork | 0.208 |
| R-free | 0.25200 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 28.510 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.761 | 3.160 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.108 * | 0.490 * |
| Total number of observations | 840101 * | |
| Number of reflections | 254610 | |
| <I/σ(I)> | 8.1 | 1.4 |
| Completeness [%] | 94.0 | 81.7 * |
| Redundancy | 2.7 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 4 * | Trakhanov, S.D., (1987) FEBS Lett., 220, 319. * |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 4 * | Trakhanov, S.D., (1987) FEBS Lett., 220, 319. * |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | NH4Cl | ||
| 10 | 1 | 2 | magnesium acetate | ||
| 11 | 1 | 2 | sodium cacodylate | ||
| 12 | 1 | 2 | MPD | ||
| 2 | 1 | 1 | KCl | ||
| 3 | 1 | 1 | CaCl2 | ||
| 4 | 1 | 1 | magnesium acetate | ||
| 5 | 1 | 1 | sodium cacodylate | ||
| 6 | 1 | 1 | MPD | ||
| 7 | 1 | 2 | NH4Cl | ||
| 8 | 1 | 2 | KCl | ||
| 9 | 1 | 2 | CaCl2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 250 (mM) | ||
| 10 | 1 | drop | 75 (mM) | ||
| 11 | 1 | drop | 200 (mM) | ||
| 12 | 1 | drop | 10 (%) | ||
| 2 | 1 | reservoir | 75 (mM) | ||
| 3 | 1 | reservoir | 25 (mM) | ||
| 4 | 1 | reservoir | 2-mercaptoethanol | 6 (mM) | |
| 5 | 1 | reservoir | potassium cacodylate | 0.1 (M) | or 0.1M MES |
| 6 | 1 | reservoir | 13-17 (%) | ||
| 7 | 1 | drop | protein | 10 (mg/ml) | |
| 8 | 1 | drop | Tris-HCl | 20 (mM) | |
| 9 | 1 | drop | 25 (mM) |
