6K5A

Crystal structure of the E148D/R147A/F317A mutant in presence of 200 mM NaBr

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	77.36
Detector technology	PIXEL
Collection date	2019-04-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	C 1 2 1
Unit cell lengths	232.184, 101.338, 172.074
Unit cell angles	90.00, 132.10, 90.00

Refinement procedure

Resolution	39.686 - 3.162
R-factor	0.2245
Rwork	0.222
R-free	0.27570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ene
RMSD bond length	0.010
RMSD bond angle	1.237
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.700	3.210
High resolution limit [Å]	3.160	3.160
Rmerge	0.081	0.615
Number of reflections	98471	4868
<I/σ(I)>	20.2	1.56
Completeness [%]	99.9	100
Redundancy	3.5	3.6
CC(1/2)	0.980	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	295	PEG 400 25% (V/V), 200 mM NaBr 100 mM Glycine