8CI4
Crystal structure of doubly S-methanethiolated rabbit M-type creatine kinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-22 |
Detector | DECTRIS EIGER2 XE CdTe 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 198.760, 198.760, 71.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.850 - 2.010 |
R-factor | 0.2068 |
Rwork | 0.206 |
R-free | 0.22480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.194 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.084 |
High resolution limit [Å] | 2.010 | 2.012 |
Number of reflections | 47490 | 4616 |
<I/σ(I)> | 17.54 | 1 |
Completeness [%] | 99.8 | 98.5 |
Redundancy | 13.5 | 13.4 |
CC(1/2) | 0.999 | 0.435 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 1.35 M sodium citrate, 0.1 M HEPES pH 7.9 |