5YG6

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

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	2017-03-02
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 1 2
Unit cell lengths	98.570, 98.570, 256.621
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.540 - 2.350
R-factor	0.1573
Rwork	0.155
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yfj
RMSD bond length	0.017
RMSD bond angle	1.840
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]	85.540	2.410
High resolution limit [Å]	2.350	2.350
Rmerge	0.142	0.539	0.070
Rmeas	0.152	0.578	0.076
Rpim	0.054	0.206	0.029
Number of reflections	59895	4593	802
<I/σ(I)>	11.2	3.9
Completeness [%]	100.0	100	99.9
Redundancy	7.8	7.7	7.2
CC(1/2)	0.995	0.907	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