1NH6
Structure of S. marcescens chitinase A, E315L, complex with hexasaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-05-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 78.100, 135.230, 188.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.000 * - 2.050 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.22500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1edq |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.250 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.000 * | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.069 | 0.318 |
| Number of reflections | 681751 | |
| <I/σ(I)> | 9.2 | 2.4 |
| Completeness [%] | 98.6 * | 87.3 |
| Redundancy | 4.4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | 283 | 8-12% ethanol, 0.8-1.3 M NaCl, 0.1 M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 283K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4 (mg/ml) | |
| 2 | 1 | drop | sodium cacodylate | 10 (mM) | pH6.5 |
| 3 | 1 | drop | 0.5 (M) | ||
| 4 | 1 | reservoir | ethanol | 8-12 (%(v/v)) | |
| 5 | 1 | reservoir | 0.8-1.3 (M) | ||
| 6 | 1 | reservoir | HEPES | 0.1 (M) | pH7.0 |
