7BXD
Crystal structure of Ca_00815
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-01 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | I 2 3 |
Unit cell lengths | 113.420, 113.420, 113.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.870 - 1.180 |
R-factor | 0.1412 |
Rwork | 0.141 |
R-free | 0.15450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dci |
RMSD bond length | 0.010 |
RMSD bond angle | 1.077 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.300 | 1.200 |
High resolution limit [Å] | 1.180 | 1.180 |
Rmerge | 0.075 | 2.931 |
Rmeas | 0.076 | 2.975 |
Rpim | 0.012 | 0.516 |
Number of reflections | 79909 | 3925 |
<I/σ(I)> | 26.9 | 1.4 |
Completeness [%] | 99.9 | 98.8 |
Redundancy | 38.9 | 32.2 |
CC(1/2) | 1.000 | 0.593 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.2M KCL, 0.1M pH 6.0, 20% PEG 6000 |