8HFD
Crystal structure of allantoinase from E. coli BL21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2022-08-19 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 203.158, 77.142, 144.847 |
Unit cell angles | 90.00, 100.80, 90.00 |
Refinement procedure
Resolution | 29.920 - 2.070 |
R-factor | 0.2057 |
Rwork | 0.205 |
R-free | 0.24870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e74 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.977 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.190 |
High resolution limit [Å] | 2.070 | 2.070 |
Number of reflections | 132819 | 12965 |
<I/σ(I)> | 7.39 | 2.14 |
Completeness [%] | 99.0 | 97.21 |
Redundancy | 3.5 | 3.2 |
CC(1/2) | 0.992 | 0.855 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 298 | 20% PEG8000, 100 mM CHES, pH9.5 |