5YFU

Crystal structure of ribose-1,5-bisphosphate isomerase from Pyrococcus horikoshii OT3 in complex with ribulose-1,5-bisphosphate and AMP

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	2016-11-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 1 2
Unit cell lengths	98.980, 98.980, 256.611
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.720 - 2.350
R-factor	0.1836
Rwork	0.180
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yfj
RMSD bond length	0.015
RMSD bond angle	1.845
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]	85.720	2.410
High resolution limit [Å]	2.350	2.350
Rmerge	0.114	0.585	0.039
Rmeas	0.120	0.614	0.042
Rpim	0.036	0.183	0.013
Number of reflections	60380	4425	752
<I/σ(I)>	14.4	3.7
Completeness [%]	100.0	100	99.8
Redundancy	11	11.3	10.2
CC(1/2)	0.998	0.972	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.7 M NaCl, 3% PEG 6000, 25% MPD