4YZT
Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis complexed with cellotetraose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-04-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 91.299, 91.299, 124.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.328 - 1.665 |
R-factor | 0.1773 |
Rwork | 0.175 |
R-free | 0.21190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4yzp |
RMSD bond length | 0.007 |
RMSD bond angle | 1.085 |
Data reduction software | MOSFLM (7.1.3) |
Data scaling software | Aimless (0.5.7) |
Phasing software | PHASER (2.5.7) |
Refinement software | PHENIX (1.9-1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 73.660 | 73.660 | 1.690 |
High resolution limit [Å] | 1.660 | 9.120 | 1.660 |
Rmerge | 0.146 | 0.039 | 0.802 |
Rpim | 0.072 | 0.020 | 0.381 |
Total number of observations | 310788 | 2258 | 15858 |
Number of reflections | 62144 | ||
<I/σ(I)> | 6.9 | 20.4 | 2.2 |
Completeness [%] | 99.8 | 99.9 | 99.9 |
Redundancy | 5 | 4.8 | 5.2 |
CC(1/2) | 0.994 | 0.989 | 0.286 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 22.5 % PEG 4000, 14 % isopropanol and 0.1 M sodium citrate |