3SRH

Human M2 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	P 1 21 1
Unit cell lengths	81.200, 154.310, 98.590
Unit cell angles	90.00, 105.59, 90.00

Refinement procedure

Resolution	47.460 - 2.600
R-factor	0.21946
Rwork	0.217
R-free	0.27023
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.926
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]	53.680	53.680	2.740
High resolution limit [Å]	2.600	8.220	2.600
Rmerge	0.083	0.027	0.618
Number of reflections	70424
<I/σ(I)>	12.9	5.8	28
Completeness [%]	99.0	100	100
Redundancy	3.2	3.1	3.2

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