5ZS7

Acetylation of lysine 100 in Phosphoglycerate mutase 1

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	2017-09-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	78.833, 82.827, 100.232
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.682 - 2.680
R-factor	0.1925
Rwork	0.189
R-free	0.25510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pgz
RMSD bond length	0.008
RMSD bond angle	1.183
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	2.780
High resolution limit [Å]	2.680	5.770	2.680
Rmerge	0.153	0.068	0.807
Rmeas	0.167	0.074	0.902
Rpim	0.067	0.030	0.393
Number of reflections	19062	2057	1844
<I/σ(I)>	4.2
Completeness [%]	99.5	99.7	98
Redundancy	6	6.1	4.7
CC(1/2)		0.994	0.684

Crystallization Conditions

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