9SD0

The Q102K clinical variant of human bisphosphoglycerate mutase (hBPGM).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 2 21 21
Unit cell lengths	37.992, 98.581, 131.395
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.700 - 1.650
R-factor	0.182
Rwork	0.181
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.837
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.700	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.044	0.810
Rmeas	0.048	0.694
Rpim	0.019	0.492
Number of reflections	60491	2906
<I/σ(I)>	18.7
Completeness [%]	100.0
Redundancy	6.2	3.7
CC(1/2)	0.999	0.594

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v Polyethylene glycol 4,000