5J1Q
Carboxypeptidase B with Sulphamoil Phenylalanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.8 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 78.930, 78.930, 100.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.740 |
R-factor | 0.14848 |
Rwork | 0.147 |
R-free | 0.18199 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4z65 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.306 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.830 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.099 | 0.310 |
Number of reflections | 32582 | |
<I/σ(I)> | 5.0365 | 2.39 |
Completeness [%] | 98.0 | 99.24 |
Redundancy | 25.2 | 24.76 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 293 | PEG 8000, Na-cacodylate, ZnAc2 |