5LGZ

Structure of Photoreduced Pentaerythritol Tetranitrate Reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-09
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	56.850, 68.650, 88.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.492 - 1.500
R-factor	0.1477
Rwork	0.146
R-free	0.18140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h50
RMSD bond length	0.016
RMSD bond angle	1.357
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	21.500
High resolution limit [Å]	1.500
Number of reflections	54598
<I/σ(I)>	11.7
Completeness [%]	96.8
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	25 % PEG 3000 0.1 M sodium citrate 0.1M cacodylate pH 6.2 17 % isopropanol