3SRF

Human M1 pyruvate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-02-15
Detector	PSI PILATUS 6M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	238.003, 192.222, 109.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.845
R-factor	0.2239
Rwork	0.221
R-free	0.28043
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.918
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	109.110	109.110	2.920
High resolution limit [Å]	2.845	12.720	2.845
Rmerge	0.098	0.057	0.346
Number of reflections	107263
<I/σ(I)>	6.1	11.5	2.3
Completeness [%]	95.5	95	95
Redundancy	2.1	2.2	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	290	10-16% polyethyleneglycol 8000, 20 mM triethanolamine-HCl buffer (pH 7.2), 50 mM MgCl2, 100 mM KCl, 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K