6GL2

Structure of ZgEngAGH5_4 wild type at 1.2 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.984
Spacegroup name	P 1 21 1
Unit cell lengths	55.490, 48.460, 59.260
Unit cell angles	90.00, 104.35, 90.00

Refinement procedure

Resolution	57.410 - 1.960
R-factor	0.17348
Rwork	0.172
R-free	0.20050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ndz
RMSD bond length	0.023
RMSD bond angle	2.134
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.410	1.240
High resolution limit [Å]	1.180	1.180
Rmerge	0.074	0.740
Rmeas	0.160	0.740
Number of reflections	99084	14405
<I/σ(I)>	10.4	1.8
Completeness [%]	98.0	98
Redundancy	6.3	6.3
CC(1/2)	0.990	0.430

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	296	14% PEG 6000, 200 mM CaCl2, 100 mM M sodium acetate buffer at pH 5.0