5YFV

Crystal structure of ribose-1,5-bisphosphate isomerase mutant C135S from Pyrococcus horikoshii OT3 in complex with ribose-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	2016-12-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 1 2
Unit cell lengths	98.140, 98.140, 255.681
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.230 - 2.750
R-factor	0.1555
Rwork	0.152
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yfj
RMSD bond length	0.013
RMSD bond angle	1.744
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]	85.230	2.870
High resolution limit [Å]	2.750	2.750
Rmerge	0.154	0.541	0.059
Rmeas	0.165	0.578	0.064
Rpim	0.058	0.204	0.024
Number of reflections	37157	4510	979
<I/σ(I)>	12	3.9
Completeness [%]	100.0	100	100
Redundancy	7.9	7.9	7
CC(1/2)	0.995	0.910	0.998

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