5YFX

Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N 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	2016-11-23
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 3 2 1
Unit cell lengths	81.130, 81.130, 100.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.180 - 2.700
R-factor	0.1809
Rwork	0.176
R-free	0.26440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yfj
RMSD bond length	0.011
RMSD bond angle	1.651
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]	100.180	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.090	0.541	0.026
Rmeas	0.094	0.572	0.028
Rpim	0.029	0.182	0.009
Number of reflections	10900	1408	355
<I/σ(I)>	23	4.4
Completeness [%]	100.0	100	99.9
Redundancy	10.3	9.8	9.1
CC(1/2)	0.998	0.952	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.7 M NaCl, 3% PEG 6000, 20% MPD