6ZMA

Structure of the tRNA-Monooxygenase enzyme MiaE frozen under 140 bar of krypton using the soak and freeze methodology

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.8610
Spacegroup name	C 1 2 1
Unit cell lengths	117.622, 52.300, 79.407
Unit cell angles	90.00, 90.74, 90.00

Refinement procedure

Resolution	79.400 - 2.150
R-factor	0.1828
Rwork	0.180
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2itb
RMSD bond length	0.010
RMSD bond angle	1.435
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.280
High resolution limit [Å]	2.150	2.150
Rmeas	0.076	0.095
Number of reflections	25240	3108
<I/σ(I)>	15.7	1.4
Completeness [%]	94.6	72.8
Redundancy	6.1	3.9
CC(1/2)	0.990	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	294	MiaE:20 mg/ml in 100 mM HEPES, pH 7.5, 30 mM NaCl reservoir solution: 0.5 M CaCl2, 42% PEG 6k, 2 M Tris-Cl pH 8 frozen under 140 bar of krypton Krypton atoms were located in anomalous map