3WY6
Structure of hyperthermophilic family 12 endocellulase (E197A) from Pyrococcus furiosus in complex with laminaribiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-17 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 58.030, 118.865, 46.873 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.550 - 1.450 |
R-factor | 0.1281 |
Rwork | 0.126 |
R-free | 0.17790 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.024 |
RMSD bond angle | 2.216 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.480 |
High resolution limit [Å] | 1.450 | 3.940 | 1.450 |
Rmerge | 0.070 | 0.022 | 0.384 |
Number of reflections | 55555 | ||
<I/σ(I)> | 11.2 | ||
Completeness [%] | 95.6 | 98.3 | 90.7 |
Redundancy | 3.7 | 4.5 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 303 | 0.12M CHES, 0.5M potassium sodium tartrate, 0.1M lithium sulfate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 303.0K |