5I8U

Crystal Structure of the RV1700 (MT ADPRASE) E142Q mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-11-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.502
Spacegroup name	C 1 2 1
Unit cell lengths	152.768, 124.844, 142.959
Unit cell angles	90.00, 98.50, 90.00

Refinement procedure

Resolution	141.420 - 2.000
R-factor	0.2235
Rwork	0.222
R-free	0.25770
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1mk1
RMSD bond length	0.018
RMSD bond angle	2.045
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	141.420	50.000	2.060
High resolution limit [Å]	1.990	4.290	1.990
Rmerge	0.079	0.035	0.917
Total number of observations	510316
Number of reflections	159897
<I/σ(I)>	6.2
Completeness [%]	88.3	99.3	56.2
Redundancy	3.2	3.8	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION			sodium formate