8IT7

Phosphoglycerate mutase 1 complexed with a compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-09-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	82.194, 85.593, 101.304
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.910 - 2.800
R-factor	0.1949
Rwork	0.192
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.016
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	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.239	0.083	1.349
Rmeas	0.249	0.086	1.412
Rpim	0.068	0.024	0.410
Total number of observations	231246
Number of reflections	17933	1928	1738
<I/σ(I)>	2.6
Completeness [%]	98.9	98.7	98
Redundancy	12.9	12.3	11.5
CC(1/2)	0.994	0.998	0.763

Crystallization Conditions

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