3ENR
ZINC-CALCIUM CONCANAVALIN A AT PH 6.15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Temperature [K] | 291 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-06-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 60.130, 96.460, 87.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.400 |
| Rwork | 0.215 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | DIMER OF PDB ENTRY 5CNA |
| RMSD bond length | 0.014 |
| RMSD bond angle | 27.740 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.480 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.103 * | 0.290 * |
| Total number of observations | 132328 * | |
| Number of reflections | 20384 | |
| <I/σ(I)> | 16.38 | 7.34 |
| Completeness [%] | 99.4 | 99.1 |
| Redundancy | 5.8 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.15 | ZNCL2, CACL2, (NH4)2SO4, sodium acetate, pH 6.15, VAPOR DIFFUSION, SITTING DROP |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | ZNCL2 | ||
| 2 | 1 | 1 | CACL2 | ||
| 3 | 1 | 1 | (NH4)2SO4 | ||
| 4 | 1 | 1 | sodium acetate | ||
| 5 | 1 | 2 | (NH4)2SO4 | ||
| 6 | 1 | 2 | sodium acetate |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6 (mg/ml) | |
| 2 | 1 | drop | 10 (mM) | ||
| 3 | 1 | drop | 10 (mM) | ||
| 4 | 1 | reservoir | ammonium sulfate | 1.8 (M) | |
| 5 | 1 | reservoir | 100 (mM) |
