2JIC
High resolution structure of xylanase-II from one micron beam experiment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID13 |
Synchrotron site | ESRF |
Beamline | ID13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-07 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.570, 38.830, 57.340 |
Unit cell angles | 90.00, 110.61, 90.00 |
Refinement procedure
Resolution | 11.050 - 1.500 |
R-factor | 0.181 |
Rwork | 0.181 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2d97 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.500 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.070 | 0.160 |
Number of reflections | 26872 | |
<I/σ(I)> | 14.3 | 7.1 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 3.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 2M AMMONIUM SULPHATE, 100 MM MES PH 5.5 AND 0.5 M MGCL2 |