6A34

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

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	2017-11-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	169.750, 169.750, 53.690
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.630 - 2.300
R-factor	0.1803
Rwork	0.177
R-free	0.23720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t5o
RMSD bond length	0.010
RMSD bond angle	1.453
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]	84.870	84.870	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.065	0.027	0.538
Rmeas	0.069	0.029	0.583
Rpim	0.024	0.009	0.219
Total number of observations	316498
Number of reflections	39641	738	3881
<I/σ(I)>	18.9
Completeness [%]	100.0	99.7	100
Redundancy	8	9	6.7
CC(1/2)	0.999	1.000	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.6	277	0.1M sodium citrate tribasic dihydrate pH 5.6, 2.5M 1,6-hexanediol