7BZ4

The mutant variant of PNGM-1. H279 was substituted for alanine to study metal coordination.

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	C 1 2 1
Unit cell lengths	121.857, 82.964, 164.037
Unit cell angles	90.00, 110.94, 90.00

Refinement procedure

Resolution	48.080 - 2.160
R-factor	0.1961
Rwork	0.193
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.699
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	2.200
High resolution limit [Å]	2.160	5.860	2.160
Rmerge	0.165	0.086	0.437
Rmeas	0.183	0.094	0.500
Rpim	0.076	0.036	0.237
Number of reflections	79596	4095	3862
<I/σ(I)>	4.8
Completeness [%]	96.8	96.4	95.2
Redundancy	5	6.4	3.7
CC(1/2)	0.977	0.992	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	287	0.05 M HEPES, 0.15 M Magnesium Acetate, 0.2 M Ammonium Acetate and 10% PEG 4000