7X4A
Native CD-NTase ClCdnE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-05-12 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.000 |
Spacegroup name | I 2 3 |
Unit cell lengths | 132.113, 132.113, 132.113 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.970 - 2.210 |
R-factor | 0.1598 |
Rwork | 0.157 |
R-free | 0.21470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6e0m |
RMSD bond length | 0.009 |
RMSD bond angle | 0.972 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.087 | 0.617 |
Rpim | 0.019 | 0.150 |
Number of reflections | 19381 | 1920 |
<I/σ(I)> | 38.9 | 5.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 21.2 | 17.7 |
CC(1/2) | 0.988 | 0.951 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | MgCl2, ADA, PEG 6000 |