8UC2
Ethylene forming enzyme (EFE) R171A variant in complex with nickel and Benzoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-12-15 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9787 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 80.109, 97.490, 98.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.030 - 1.600 |
R-factor | 0.1701 |
Rwork | 0.169 |
R-free | 0.18640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.914 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19_4092: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.030 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 47283 | 1380 |
<I/σ(I)> | 20 | 2.5 |
Completeness [%] | 93.0 | |
Redundancy | 5.8 | |
CC(1/2) | 0.999 | 0.906 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Sodium citrate tribasic dihydrate, 20% w/v Polyethylene glycol 3,350 |