6KKA
Xylanase J mutant from Bacillus sp. 41M-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-10-29 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.00000 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 125.436, 125.436, 318.154 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.250 - 2.360 |
R-factor | 0.1849 |
Rwork | 0.183 |
R-free | 0.21350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dcj |
RMSD bond length | 0.008 |
RMSD bond angle | 1.049 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.250 | 2.400 |
High resolution limit [Å] | 2.360 | 2.360 |
Rmerge | 0.075 | 0.572 |
Rmeas | 0.080 | 0.614 |
Rpim | 0.028 | 0.223 |
Number of reflections | 61709 | 3001 |
<I/σ(I)> | 36.65 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 8.1 | 7.5 |
CC(1/2) | 0.997 | 0.858 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | HEPES, sodium citrate dehydrate, (+/-)2,4-pentanediol, ethylene glycol |