8JIJ
Alanine decarboxylase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 163.485, 163.485, 50.203 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 17.570 - 2.500 |
R-factor | 0.17517 |
Rwork | 0.173 |
R-free | 0.22213 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.531 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.128 | 0.077 | 0.603 |
Rmeas | 0.141 | 0.085 | 0.672 |
Rpim | 0.060 | 0.036 | 0.292 |
Total number of observations | 142739 | ||
Number of reflections | 26556 | 1331 | 1308 |
<I/σ(I)> | 3.2 | ||
Completeness [%] | 99.3 | 93.7 | 99.9 |
Redundancy | 5.4 | 5.6 | 5.1 |
CC(1/2) | 0.973 | 0.968 | 0.754 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 3.5M Sodium formate, pH 7.0 |