6A35

Crystal structure of 5-methylthioribose 1-phosphate isomerase from Pyrococcus horikoshii OT3 - Form II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-03-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	46.170, 91.230, 102.070
Unit cell angles	108.58, 98.09, 104.62

Refinement procedure

Resolution	93.890 - 2.650
R-factor	0.2146
Rwork	0.210
R-free	0.29420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a34
RMSD bond length	0.012
RMSD bond angle	1.520
Data reduction software	MOSFLM (7.2.1)
Data scaling software	Aimless (0.5.28)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	93.890	82.020	2.760
High resolution limit [Å]	2.650	9.550	2.650
Rmerge	0.096	0.057	0.557
Rmeas	0.113	0.069	0.657
Rpim	0.060	0.039	0.346
Number of reflections	41560	905	4648
<I/σ(I)>	9.4
Completeness [%]	96.5	97.8	94.9
Redundancy	3.6	3.3	3.6
CC(1/2)	0.992	0.987	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.05M ammonium acetate, 0.1M tris pH 8.0, 16% PEG 10000, 0.05M sodium acetate