7BZ3

The mutant variant of PNGM-1. H257 was substituted for alanine to study substrate binding.

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]	100
Detector technology	CCD
Collection date	2013-05-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97940
Spacegroup name	P 1 21 1
Unit cell lengths	79.787, 143.741, 79.760
Unit cell angles	90.00, 111.82, 90.00

Refinement procedure

Resolution	48.690 - 2.000
R-factor	0.2321
Rwork	0.229
R-free	0.28640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.722
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.080
High resolution limit [Å]	2.000	5.540	2.040
Rmerge	0.089	0.073	0.203
Rmeas	0.097	0.079	0.222
Rpim	0.039	0.032	0.088
Number of reflections	103806	5285	4991
<I/σ(I)>	12.9
Completeness [%]	97.6	99	96
Redundancy	6.2	6.3	6.2
CC(1/2)	0.987	0.991	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.6	287	0.1 M Sodium acetate, 20% glycerol, 0.2 M MgCl2 and 7.5% PEG 8000