2PZY

Structure of MK2 Complexed with Compound 76

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-03-08
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 63
Unit cell lengths	159.610, 159.610, 134.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.320 - 2.900
Rwork	0.251
R-free	0.31300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.154
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.320	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.109	0.482
Total number of observations		10846
Number of reflections	42263
<I/σ(I)>	8.2	1.8
Completeness [%]	98.0	94.7
Redundancy	3	2.68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	297	100 mM HEPES pH 7.5, 1.85 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 297K
1	VAPOR DIFFUSION, HANGING DROP	7.5	297	100 mM HEPES pH 7.5, 1.85 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 297K