2X2P

The flavoprotein NrdI from Bacillus cereus with the initially semiquinone FMN cofactor in an intermediate radiation reduced state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2009-02-09
Detector	MAR scanner 345 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	42.955, 45.485, 56.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.150
R-free	0.19120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rlj
RMSD bond length	0.013
RMSD bond angle	0.032
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.090	1.210
High resolution limit [Å]	1.150	1.150
Rmerge	0.060	0.490
Number of reflections	39780
<I/σ(I)>	14.4	2.6
Completeness [%]	99.9	100
Redundancy	4.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		0.1 M SODIUM CACODYLATE TRIHYDRATE PH 6.5, 0.2 M ZINC ACETATE DIHYDRATE, 14 %(W/V) PEG 8000