5YGA

Crystal structure of ribose-1,5-bisphosphate isomerase mutant D204N from Pyrococcus horikoshii OT3 in complex with ribose-1,5-bisphosphate, AMP 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	2017-03-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 31 1 2
Unit cell lengths	98.800, 98.800, 256.431
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.560 - 2.450
R-factor	0.1704
Rwork	0.168
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yfj
RMSD bond length	0.016
RMSD bond angle	1.822
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]	85.560	2.530
High resolution limit [Å]	2.450	2.450
Rmerge	0.109	0.570	0.023
Rmeas	0.113	0.590	0.024
Rpim	0.032	0.151	0.007
Total number of observations	671257
Number of reflections	53172	4603	839
<I/σ(I)>	19.6	5.2
Completeness [%]	100.0	100	100
Redundancy	12.6	15.1	14
CC(1/2)	0.999	0.967	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