1XIK

RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 1 BETA CHAIN

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID2
Synchrotron site	ESRF
Beamline	ID2
Temperature [K]	103
Detector technology	IMAGE PLATE
Detector	MAR scanner 300 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	73.440, 83.530, 113.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.700
R-factor	0.206 *
Rwork	0.206
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	DIFERRIC FORM OF R2 PROTEIN PDB ENTRY 1RIB
RMSD bond length	0.013
RMSD bond angle	16.300 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.064	0.417
Total number of observations	370705 *
Number of reflections	76518
<I/σ(I)>	5.9	1.5
Completeness [%]	98.8	94.7
Redundancy	4.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6		HANGING DROP VAPOR DIFFUSION METHOD, 20% PEG 4000, 0.2M NACL, 50MM MES BUFFER PH 6.0, 1MM ETHYLMERCURY SALICYLATE, vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	22 (%)
2	1	reservoir		0.2 (M)
3	1	reservoir	MES	50 (mM)
4	1	reservoir	ethylmercury thiosalicylate	1 (mM)