5V34
Ethylene forming enzyme in complex with manganese, malic acid and L-arginine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-11 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.1272 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 87.360, 87.360, 104.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.680 - 1.480 |
R-factor | 0.1365 |
Rwork | 0.135 |
R-free | 0.16210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5v2t |
RMSD bond length | 0.010 |
RMSD bond angle | 1.029 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.31) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX (1.11.1-2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 61.240 | 61.240 | 1.510 |
High resolution limit [Å] | 1.480 | 8.110 | 1.480 |
Rmerge | 0.084 | 0.067 | 1.054 |
Rmeas | 0.091 | 0.073 | 1.133 |
Rpim | 0.033 | 0.027 | 0.409 |
Number of reflections | 75179 | ||
<I/σ(I)> | 12.8 | ||
Completeness [%] | 97.9 | 99.7 | 96.4 |
Redundancy | 7.2 | 6.8 | 7.4 |
CC(1/2) | 0.998 | 0.991 | 0.639 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277.15 | 0.2 ul 64 mg/ml EFE (+1 mM manganese chloride, 25 mM HEPES pH 8.0, 1 mM TCEP, +2.5 mM L-arginine) was mixed with 0.2 ul reservoir solution. The sitting drop reservoir of 50 ul contained 25% PEG 1500 and 0.1 M MMT buffer, pH 6.5. The crystal was soaked for about a minute in 25% w/v Polyethylene glycol 400, 75% reservoir solution before freezing it. |