4HKO
Crystal Structures of Mutant Endo-beta-1,4-xylanase II (E177Q) in the apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-10-13 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.216, 59.209, 69.718 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.828 - 1.500 |
R-factor | 0.1722 |
Rwork | 0.171 |
R-free | 0.18610 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.144 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.530 |
High resolution limit [Å] | 1.500 | 3.690 | 1.500 |
Rmerge | 0.069 | 0.055 | 0.408 |
Number of reflections | 32599 | ||
<I/σ(I)> | 13.2 | ||
Completeness [%] | 99.6 | 99.3 | 97.5 |
Redundancy | 3.7 | 3.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 298 | 15-20 % PEG 8,000, 0.2 M NaI, 0.1 M MES, pH6.0 , VAPOR DIFFUSION, temperature 298K |