5YFT

Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N 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	2016-11-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 1 2
Unit cell lengths	98.810, 98.810, 257.081
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.690 - 2.210
R-factor	0.1534
Rwork	0.151
R-free	0.19340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yfj
RMSD bond length	0.020
RMSD bond angle	1.956
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]	85.690	2.260
High resolution limit [Å]	2.210	2.210
Rmerge	0.123	0.532	0.039
Rmeas	0.130	0.568	0.041
Rpim	0.043	0.197	0.014
Number of reflections	72313	4460	688
<I/σ(I)>	13.7	3.9
Completeness [%]	100.0	99.8	99.9
Redundancy	9.2	8.1	8.4
CC(1/2)	0.998	0.901	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