6ISN

Phosphoglycerate mutase 1 complexed with a small molecule inhibitor

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	2015-04-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97851
Spacegroup name	P 21 21 21
Unit cell lengths	82.541, 82.764, 104.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.890 - 1.980
R-factor	0.198
Rwork	0.197
R-free	0.22500
RMSD bond length	0.007
RMSD bond angle	1.044
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.063	0.881
Number of reflections	50593
<I/σ(I)>	8.4
Completeness [%]	100.0	100
Redundancy	6.5	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	MES, pH 6.0, PEG3350