6JQ9
Crystal structure of a lyase from Alteromonas sp.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-10-26 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.048, 121.768, 124.304 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.890 - 1.810 |
R-factor | 0.238 |
Rwork | 0.235 |
R-free | 0.28850 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.697 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
Rmerge | 0.128 | 0.072 | 0.865 |
Rmeas | 0.131 | 0.074 | 0.884 |
Rpim | 0.026 | 0.015 | 0.181 |
Total number of observations | 2791147 | ||
Number of reflections | 114029 | 11888 | 11247 |
<I/σ(I)> | 6.6 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 24.5 | 24.1 | 23.2 |
CC(1/2) | 0.999 | 0.966 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | CaAcc2, PEG 8000, Nacacodylate |