6JKF
Crystal structure of Serratia marcescens Chitinase B complexed with compound 2-8-s2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL18U |
| Synchrotron site | NFPSS |
| Beamline | BL18U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-01-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97778 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.767, 104.997, 185.868 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.712 - 1.990 |
| R-factor | 0.1826 |
| Rwork | 0.182 |
| R-free | 0.20140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4z2g |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.790 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.712 | 2.030 |
| High resolution limit [Å] | 1.990 | 2.000 |
| Number of reflections | 75549 | 3683 |
| <I/σ(I)> | 25.5 | 4.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.1 | 13.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 50 mM citrate (pH 5.6), 0.5 M Li2SO4, and 0.25 M (NH4)2SO4 |
