5K4P
Catalytic Domain of MCR-1 phosphoethanolamine transferase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 59.080, 59.080, 186.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.920 - 1.318 |
R-factor | 0.1555 |
Rwork | 0.154 |
R-free | 0.17760 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.362 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | SHELX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 56.327 | 56.327 | 1.390 |
High resolution limit [Å] | 1.318 | 4.170 | 1.320 |
Rmerge | 0.090 | 1.763 | |
Rmeas | 0.212 | 0.097 | 1.900 |
Rpim | 0.055 | 0.025 | 0.552 |
Total number of observations | 1161283 | 40896 | 132914 |
Number of reflections | 79227 | ||
<I/σ(I)> | 10.1 | 24.9 | 1.8 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 14.7 | 14.4 | 11.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.2 M zinc acetate dihydrate, 0.1 M sodium cacodylate trihydrate pH 6.5, 3% w/v D-Sorbitol, and 18% PEG 8,000 |