5LVK

Human Lysozyme co-crystallized with [H2Ind][trans-RuCl4(DMSO)(HInd)]

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	120
Detector technology	CCD
Collection date	2016-05-17
Detector	AGILENT ATLAS CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	42.039, 64.100, 111.311
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.370 - 2.491
R-factor	0.1877
Rwork	0.177
R-free	0.28110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ln2
RMSD bond length	0.007
RMSD bond angle	0.957
Data reduction software	CrysalisPro
Data scaling software	Aimless (0.5.9)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	14.370	14.370	2.060
High resolution limit [Å]	2.000	8.720	2.000
Rmerge	0.263	0.232	0.170
Number of reflections	11854
<I/σ(I)>	3.2
Completeness [%]	88.7	71.2	42.4
Redundancy	4.7	3.2	1.3
CC(1/2)	0.944	0.874	0.384

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2 M ammonium sulfate, 0.1 M sodium acetate, 21% PEG4000