4QCE
Crystal structure of recombinant alkali thermostable GH10 xylanase from Bacillus sp. NG-27
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.770, 75.650, 176.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.680 - 2.320 |
R-factor | 0.1813 |
Rwork | 0.179 |
R-free | 0.22690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.123 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 88.475 | 26.064 | 2.460 |
High resolution limit [Å] | 2.320 | 7.370 | 2.320 |
Rmerge | 0.075 | 0.536 | |
Rpim | 0.043 | 0.308 | |
Total number of observations | 5017 | 22434 | |
Number of reflections | 33124 | ||
<I/σ(I)> | 6.6 | 14.1 | 2.4 |
Completeness [%] | 99.7 | 97.9 | 100 |
Redundancy | 4.6 | 4.3 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M naCl, 0.12M MgCl2, 0.05M Tris HCl pH 8.5, 15% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |