2PC2

Lysozyme Cocrystallized with Tris-dipicolinate Eu complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-05-20
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	50.266, 33.779, 69.683
Unit cell angles	90.00, 108.22, 90.00

Refinement procedure

Resolution	18.980 - 1.538
R-factor	0.14
Rwork	0.138
R-free	0.16700
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.520
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.035	19.030	1.630
High resolution limit [Å]	1.538	4.880	1.538
Rmerge	0.095	0.108	0.102
Total number of observations		5759	11518
Number of reflections	16398
<I/σ(I)>	3.8	5.3	5.8
Completeness [%]	98.2	98.2	92.7
Redundancy	7.9	10.4	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.1	293	0.3M NaCl, 0.1M MES, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5.1	293	0.3M NaCl, 0.1M MES, pH 5.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K