6M61

Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) with inhibitor heptelidic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	81.358, 135.078, 146.227
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.032 - 1.824
R-factor	0.193381921753
Rwork	0.192
R-free	0.22789
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1u8f
RMSD bond length	0.006
RMSD bond angle	0.877
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.820	1.830
Rmerge	0.111	0.866
Number of reflections	142957	142957
<I/σ(I)>	25.5
Completeness [%]	99.9
Redundancy	10.2
CC(1/2)		0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	289.15	0.1 M zinc acetate dihydrate, 0.1 M Sodium acetate trihydrate, pH 4.6, 12% w/v polyethylene glycol (PEG) 4000