3PIL

Crystal structure of Mxr1 from Saccharomyces cerevisiae in reduced form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-12-26
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	64.310, 70.140, 74.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.170 - 2.040
R-factor	0.20858
Rwork	0.207
R-free	0.24665
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bqe
RMSD bond length	0.006
RMSD bond angle	0.828
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.170	2.140
High resolution limit [Å]	2.030	2.030
Number of reflections	21889
Completeness [%]	98.4	89.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	289	0.2M ammonium acetate, 0.1M sodium acetate, 30% polyethylene glycol 4,000, pH 4.6, VAPOR DIFFUSION, temperature 289K