7N3S

Human bisphosphoglycerate mutase complex with 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	2019-03-22
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.54056
Spacegroup name	P 21 21 21
Unit cell lengths	52.643, 70.808, 158.933
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.999 - 2.480
R-factor	0.2135
Rwork	0.210
R-free	0.28430
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	PHENIX (1.9-1692)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000	2.580
High resolution limit [Å]	2.480	2.480
Rmerge	0.111	0.710
Rmeas	0.120	0.772
Rpim	0.047	0.300
Total number of observations	140609
Number of reflections	21810	2412
<I/σ(I)>	9.7
Completeness [%]	99.9	100
Redundancy	6.4	6.5
CC(1/2)	0.997	0.881

Crystallization Conditions

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