4GPI

Crystal structure of human B type phosphoglycerate mutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	180
Detector technology	CCD
Collection date	2012-03-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	81.662, 80.263, 89.275
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.621 - 2.082
R-factor	0.1917
Rwork	0.190
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yfk
RMSD bond length	0.007
RMSD bond angle	1.038
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	2.820	2.150
High resolution limit [Å]	2.080	2.620	2.080
Number of reflections	35847
Completeness [%]	100.0	100	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	100 mM MES, pH 6.0, 8% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K