5YG7

Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N 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	2017-02-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 1 2
Unit cell lengths	99.160, 99.160, 257.041
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.870 - 2.500
R-factor	0.1761
Rwork	0.173
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yfj
RMSD bond length	0.015
RMSD bond angle	1.799
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]	85.870	2.580
High resolution limit [Å]	2.500	2.500
Rmerge	0.085	0.534	0.032
Rmeas	0.090	0.563	0.033
Rpim	0.029	0.172	0.009
Number of reflections	46864	4020	866
<I/σ(I)>	17.6	3.7
Completeness [%]	92.7	87.9	100
Redundancy	8.7	9.1	14
CC(1/2)	0.999	0.927	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.7 M NaCl, 3% PEG 6000, 20% MPD, 0.1% Low Melting Agarose