5Y2C
Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 2 E2180L mutant in complex with PENTA-N-ACETYLCHITOOCTAOSE (NAG)5
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97776 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.742, 90.804, 74.625 |
Unit cell angles | 90.00, 116.32, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.450 |
Rwork | 0.162 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5y2a |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11_2567) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 10.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
Rmerge | 0.148 | 0.100 | 0.475 |
Rmeas | 0.171 | 0.114 | 0.567 |
Rpim | 0.083 | 0.054 | 0.305 |
Number of reflections | 37537 | 2385 | |
<I/σ(I)> | 3.8 | ||
Completeness [%] | 99.8 | 99.7 | 99.4 |
Redundancy | 3.8 | 3.9 | 3 |
CC(1/2) | 0.971 | 0.756 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2M ammonium acetate, 0.1M Bis-Tris, pH 6.5 and 45% 2-methyl-2,4-pentadiol |