5H99

Crystal structure of Geobacter metallireducens SMUG1 mutant N58D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	120
Detector technology	CCD
Collection date	2015-11-19
Detector	OXFORD ONYX CCD
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	61.535, 74.817, 93.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.700 - 2.500
R-factor	0.2211
Rwork	0.219
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oe4
RMSD bond length	0.004
RMSD bond angle	0.995
Data reduction software	CrysalisPro
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.700	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.137	0.430
Number of reflections	15442
<I/σ(I)>	6.3	2.4
Completeness [%]	99.5	91.2
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	16-21% PEG6000, 0.2M NaCl or (NH4)2SO4 and 0.1M MES (pH 6.0)