3N17
Crystal stricture of E145Q/Y227F chitinase in complex with NAG from Bacillus cereus NCTU2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-04-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.644, 76.362, 76.911 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.200 |
| R-factor | 0.1762 |
| Rwork | 0.176 |
| R-free | 0.18720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n12 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.989 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.047 | 0.056 |
| Number of reflections | 87759 | |
| <I/σ(I)> | 43.3 | 8.5 |
| Completeness [%] | 97.2 | 88.1 |
| Redundancy | 5.6 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 50mM potassium phosphate monobasic, 20%(w/v) PEG 8000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
