8IT5

Phosphoglycerate mutase 1 complexed with a compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-05-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	82.377, 85.362, 102.577
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.890 - 2.200
R-factor	0.1908
Rwork	0.189
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.903
Data scaling software	HKL-3000
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.149	0.110	0.898
Rmeas	0.155	0.115	0.935
Rpim	0.043	0.034	0.258
Total number of observations	492979
Number of reflections	37813	4013	3712
<I/σ(I)>	3.9
Completeness [%]	100.0	100	100
Redundancy	13	11.9	13
CC(1/2)	0.989	0.994	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	PEG3350, 100mM MES 6.0