4URP

The Crystal structure of Nitroreductase from Saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	95
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 32
Unit cell lengths	60.045, 60.045, 110.675
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.975 - 2.991
R-factor	0.2233
Rwork	0.217
R-free	0.27370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NONE
RMSD bond length	0.004
RMSD bond angle	0.892
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.980	3.050
High resolution limit [Å]	2.990	3.000
Rmerge	0.130	0.430
Number of reflections	8790
<I/σ(I)>	7.4	1.75
Completeness [%]	97.2	91.8
Redundancy	5.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1