3WT3
New crystal form of a hyperthermophilic endocellulase
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 | 2013-11-21 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 134.729, 62.568, 86.284 |
Unit cell angles | 90.00, 95.08, 90.00 |
Refinement procedure
Resolution | 43.010 - 1.680 |
R-factor | 0.1827 |
Rwork | 0.181 |
R-free | 0.21840 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.025 |
RMSD bond angle | 2.450 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.1) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.710 |
High resolution limit [Å] | 1.680 | 4.560 | 1.680 |
Rmerge | 0.068 | 0.049 | 0.367 |
Number of reflections | 81623 | ||
<I/σ(I)> | 14.2 | ||
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 3.8 | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | 0.1M CHC buffer, 0.2M lithium sulfate, 5%(v/v) ethanol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |