1EDQ
CRYSTAL STRUCTURE OF CHITINASE A FROM S. MARCESCENS AT 1.55 ANGSTROMS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-04-04 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 199.497, 131.825, 59.368 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.550 |
| R-factor | 0.187 * |
| Rwork | 0.187 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ctn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 11.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.032 | 0.216 |
| Number of reflections | 112857 | |
| <I/σ(I)> | 27.8 | 6.8 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 291 * | 0.75 M Citrate-Na pH 7.2, 20% (v/v) methanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 0.5 (mM) | ||
| 2 | 1 | drop | ammonium sulfate | 200 (mM) | |
| 3 | 1 | drop | enzyme | 30 (mg/ml) | |
| 4 | 1 | drop | Tris-HCl | 2 (mM) | |
| 5 | 1 | reservoir | sodium citrate | 0.75 (M) | |
| 6 | 1 | reservoir | methanol | 20 (%(v/v)) |
