6A98
Crystal structure of a cyclase from Fischerella sp. TAU
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 | 2018-05-19 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 39.442, 53.340, 95.162 |
Unit cell angles | 104.54, 91.39, 92.91 |
Refinement procedure
Resolution | 24.960 - 1.820 |
R-factor | 0.16688 |
Rwork | 0.165 |
R-free | 0.20108 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5yvk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.549 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 1.940 |
High resolution limit [Å] | 1.820 | 4.020 | 1.820 |
Rmerge | 0.045 | 0.025 | 0.251 |
Rmeas | 0.053 | 0.029 | 0.297 |
Rpim | 0.028 | 0.015 | 0.157 |
Total number of observations | 215791 | ||
Number of reflections | 64099 | 6109 | 5874 |
<I/σ(I)> | 18.1 | ||
Completeness [%] | 97.4 | 99 | 95.4 |
Redundancy | 3.6 | 3.6 | 3.5 |
CC(1/2) | 0.999 | 0.964 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 1.0M sodium citrate, 0.1M Imidazole pH 8.0 |