5ZO0
Neutron structure of xylanase at pD5.4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | NUCLEAR REACTOR |
Source details | FRM II BEAMLINE BIODIFF |
Synchrotron site | FRM II |
Beamline | BIODIFF |
Temperature [K] | 295 |
Detector technology | IMAGE PLATE |
Collection date | 2017-10-01 |
Detector | BIODIFF |
Wavelength(s) | 2.66 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.700, 60.026, 70.592 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.864 - 1.648 |
R-factor | 0.1885 |
Rwork | 0.186 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dfc |
RMSD bond length | 0.011 |
RMSD bond angle | 1.015 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.700 |
High resolution limit [Å] | 1.650 | 3.780 | 1.650 |
Rmerge | 0.133 | 0.047 | 0.558 |
Rmeas | 0.170 | 0.057 | 0.752 |
Rpim | 0.103 | 0.032 | 0.500 |
Total number of observations | 44926 | ||
Number of reflections | 22574 | 2022 | 1728 |
<I/σ(I)> | 7.1 | ||
Completeness [%] | 86.1 | 85.8 | 80.6 |
Redundancy | 2 | 2.9 | 1.6 |
CC(1/2) | 0.978 | 0.445 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | 0.1M Tris, 0.1M NaCl, 1mM DTT, pH8.0, 2% PEG 3350, 0.2M NaI |