5YFS

Crystal structure of ribose-1,5-bisphosphate isomerase mutant C135S from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate

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	2017-02-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 1 2
Unit cell lengths	98.650, 98.650, 256.731
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.580 - 2.300
R-factor	0.1465
Rwork	0.144
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yfj
RMSD bond length	0.018
RMSD bond angle	1.889
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]	85.580	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.128	0.496	0.036
Rmeas	0.134	0.516	0.038
Rpim	0.038	0.141	0.011
Total number of observations	765831
Number of reflections	64003	4486	746
<I/σ(I)>	16.2	5.7
Completeness [%]	100.0	100	99.9
Redundancy	12	13.2	12.9
CC(1/2)	0.997	0.942	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.7 M NaCl, 3% PEG 6000, 25% MPD, 0.1% Low Melting Agarose