4XP8

Structure of EtgA D60N mutant

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	200
Detector technology	CCD
Collection date	2013-12-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795, 0.9797, 0.9611
Spacegroup name	P 31 2 1
Unit cell lengths	31.400, 31.400, 149.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.900 - 2.030
R-factor	0.2113
Rwork	0.207
R-free	0.24410
RMSD bond length	0.012
RMSD bond angle	1.454
Data scaling software	Aimless (0.2.14)
Phasing software	SHARP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.900	29.900	2.090
High resolution limit [Å]	2.030	8.850	2.030
Rmerge	0.111	0.047	0.758
Rpim	0.046	0.023	0.298
Total number of observations	41538	477	3510
Number of reflections	6064
<I/σ(I)>	14	25.9	3.2
Completeness [%]	99.0	95.2	99.5
Redundancy	6.8	4.8	7.3
CC(1/2)	0.997	0.997	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	295	0.1M imidazole, pH 7.3, 20% 2-propanol