6VDG

Crystal Structure of the Y182A HisF Mutant from Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-03
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.45851
Spacegroup name	P 61 2 2
Unit cell lengths	95.624, 95.624, 154.913
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.690 - 2.790
R-factor	0.21
Rwork	0.204
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gpw
RMSD bond length	0.005
RMSD bond angle	0.730
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.810	2.800
High resolution limit [Å]	2.790	2.790
Number of reflections	10873	1635
<I/σ(I)>	17.72	1.69
Completeness [%]	98.6	94.7
Redundancy	13.3
CC(1/2)	0.990	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291.15	23% PEG 3350, 20mM Potassium Phosphate