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)) |