4QDM
Crystal structure of N-terminal mutant (V1L) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.82656 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.880, 76.580, 176.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.190 - 1.964 |
R-factor | 0.1535 |
Rwork | 0.152 |
R-free | 0.19010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2f8q |
RMSD bond length | 0.019 |
RMSD bond angle | 1.802 |
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] | 88.365 | 40.155 | 2.070 |
High resolution limit [Å] | 1.964 | 6.210 | 1.960 |
Rmerge | 0.027 | 0.213 | |
Rpim | 0.011 | 0.088 | |
Total number of observations | 12597 | 48215 | |
Number of reflections | 52548 | ||
<I/σ(I)> | 18.5 | 31.5 | 8.7 |
Completeness [%] | 97.3 | 99.6 | 94.3 |
Redundancy | 6.9 | 6.6 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M NaCl, 0.16M MgCl2, 0.05M Tris HCl pH 8.5, 18% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |