2XAW

Ribonucleotide reductase Y730NO2Y and Y731F modified R1 subunit of E. coli

Replaces:  2X5B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-27
Detector	ADSC QUANTUM Q4R
Spacegroup name	H 3 2
Unit cell lengths	223.893, 223.893, 336.730
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	169.031 - 3.100
R-factor	0.169
Rwork	0.165
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2x0x
RMSD bond length	0.012
RMSD bond angle	1.441
Data reduction software	MOSFLM
Data scaling software	TRUNCATE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.250	3.130
High resolution limit [Å]	3.100	3.100
Rmerge	0.130	0.480
Number of reflections	58056
<I/σ(I)>	11.85	2.18
Completeness [%]	98.9	98.6
Redundancy	4.53	4.31

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		LITHIUM SULPHATE 1.5M, SODIUM CHLORIDE BUFFER PH 6.