5YG5

Crystal structure of ribose-1,5-bisphosphate isomerase from Pyrococcus horikoshii OT3 in complex with ribulose-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	2017-03-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 1 2
Unit cell lengths	98.990, 98.990, 257.091
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.730 - 2.750
R-factor	0.1658
Rwork	0.162
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yfj
RMSD bond length	0.013
RMSD bond angle	1.679
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]	85.730	2.870
High resolution limit [Å]	2.750	2.750
Rmerge	0.117	0.514	0.026
Rmeas	0.121	0.533	0.027
Rpim	0.032	0.138	0.008
Number of reflections	37954	4564	1003
<I/σ(I)>	22.1	5.9
Completeness [%]	100.0	100	99.9
Redundancy	14.4	14.8	13.2
CC(1/2)	0.998	0.962	0.999

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