6NJR

Spin-Labeled T177C/A637C Mutant of Rat CYPOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-12-04
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5
Spacegroup name	P 21 21 21
Unit cell lengths	101.265, 116.012, 118.377
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.370 - 2.700
R-factor	0.216
Rwork	0.216
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ja1
RMSD bond length	0.011
RMSD bond angle	1.800
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Number of reflections	39289
<I/σ(I)>	26.4	3.2
Completeness [%]	98.9	97.2
Redundancy	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	PEG 4000, SODIUM ACETATE, HEPES, PH 7