4BY8
Microheterogeneous Paracelsin-X from Trichoderma reesei
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-06 |
Detector | MARRESEARCH |
Spacegroup name | P 31 1 2 |
Unit cell lengths | 22.020, 22.020, 42.150 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 11.310 - 0.940 |
R-factor | 0.164 |
R-free | 0.21700 |
Structure solution method | DIRECT METHODS |
Starting model (for MR) | NONE |
RMSD bond length | 0.022 |
RMSD bond angle | 0.050 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SnB |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 11.310 | 0.990 |
High resolution limit [Å] | 0.940 | 0.940 |
Rmerge | 0.120 | 0.490 |
Number of reflections | 7699 | |
<I/σ(I)> | 6.3 | 2 |
Completeness [%] | 98.4 | 100 |
Redundancy | 3.3 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | evaporation | 294 | SLOW EVAPORATION AT ROOM TEMPERATURE |