5ZS8

Acetylation of lysine 100 of Phosphoglycerate mutase 1 complexed with KH_ol

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	2017-04-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9778
Spacegroup name	P 21 21 21
Unit cell lengths	78.743, 83.101, 100.368
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.669 - 2.200
R-factor	0.1808
Rwork	0.179
R-free	0.22000
RMSD bond length	0.008
RMSD bond angle	1.045
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

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	0.082	0.043	0.804
Rmeas	0.089	0.048	0.876
Rpim	0.035	0.019	0.344
Number of reflections	34396	3655	3384
<I/σ(I)>	7.2
Completeness [%]	99.9	99.8	100
Redundancy	6.3	6.1	6.4
CC(1/2)		0.997	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	MES, pH 6.0, PEG 3350