4O33

Crystal Structure of human PGK1 3PG and terazosin(TZN) ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-24
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 2
Unit cell lengths	61.817, 73.754, 93.466
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.300 - 2.100
R-factor	0.196
Rwork	0.193
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xe6
RMSD bond length	0.016
RMSD bond angle	1.343
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.170
High resolution limit [Å]	2.000	2.130
Number of reflections	24406
Completeness [%]	90.0	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8	291	25-30% PEG 4000,0.1 M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291 KK