6FSJ

Crystal structure of TCE-treated Lysozyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.999
Spacegroup name	P 43 21 2
Unit cell lengths	78.462, 78.462, 37.503
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.836 - 1.200
R-factor	0.1541
Rwork	0.153
R-free	0.17010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bre
RMSD bond length	0.006
RMSD bond angle	0.866
Data reduction software	XDS (20180126)
Data scaling software	XDS (20180126)
Phasing software	PHASER ((1.12_2829))
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.836	1.243
High resolution limit [Å]	1.200	1.200
Number of reflections	37081	3649
<I/σ(I)>	13.77
Completeness [%]	99.8	99.54
Redundancy	5.3	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30 mg/ml Lysozyme in 20 mM Tris pH 7.5, 200 mM NaCl 1:1 with 1.0 M LiCl, 0.1 M Na citrate pH 4.0 20 % w/v PEG 6000 Cryoprotectant: Etylene glycol 30 mM TCE