8YT2
Crystal structure of ACMSD mutant W194A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-04-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97935 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 104.002, 151.647, 154.105 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.100 - 2.020 |
R-factor | 0.1952 |
Rwork | 0.194 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.858 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.050 |
High resolution limit [Å] | 2.020 | 5.480 | 2.020 |
Rmerge | 0.066 | 0.955 | |
Rmeas | 0.072 | 1.047 | |
Rpim | 0.029 | 0.423 | |
Number of reflections | 79968 | 4183 | 3948 |
<I/σ(I)> | 6.3 | ||
Completeness [%] | 99.9 | 98.7 | 99.6 |
Redundancy | 7.1 | 6.5 | 5.9 |
CC(1/2) | 1.000 | 0.994 | 0.713 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 295 | 2% (v/v) malonate pH 7.0, 0.1M sodium citrate tribasic pH 5.6, 12% (w/v) polyethylene glycol 3350 |