7XPS
Crystal structrue of MtdL:GDP:Mn
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 | 2021-10-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 98.694, 162.243, 116.496 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.850 - 2.100 |
R-factor | 0.2257 |
Rwork | 0.224 |
R-free | 0.26740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7xpr |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.850 | 19.850 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.134 | 0.025 | 0.936 |
Rmeas | 0.140 | 0.026 | 0.972 |
Rpim | 0.038 | 0.007 | 0.261 |
Total number of observations | 723926 | 8478 | 60842 |
Number of reflections | 54465 | 707 | 4457 |
<I/σ(I)> | 15.2 | 55.8 | 2.8 |
Completeness [%] | 99.5 | 89.4 | 99.9 |
Redundancy | 13.3 | 12 | 13.7 |
CC(1/2) | 0.999 | 1.000 | 0.939 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 283 | 0.2 M ammonium sulfate, 0.1 M tri-sodium citrate, pH 5.6, 15% (w/v) PEG 4000 |