7N3R

The ternary complex of human Bisphosphoglycerate mutase with 3-phosphoglycerate and 2-phosphoglycolate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-17
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.54056
Spacegroup name	P 21 21 21
Unit cell lengths	53.072, 70.865, 159.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.648 - 2.250
R-factor	0.206
Rwork	0.203
R-free	0.27360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h4z
Data reduction software	CrysalisPro (41_64_69a)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.650	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.084	0.491
Rmeas	0.090	0.524
Rpim	0.031	0.181
Number of reflections	29181	2677
<I/σ(I)>	15	4.2
Completeness [%]	99.2	100
Redundancy	7.9	8
CC(1/2)	0.999	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	0.1 M BIS TRIS propane, 18% polyethylene glycol 8000, 10% v/v polyethylene glycol 200