7L3G

T4 Lysozyme L99A - 4-iodotoluene - cryo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	60.188, 60.188, 96.507
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.862 - 1.270
R-factor	0.1571
Rwork	0.156
R-free	0.17410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4w51
RMSD bond length	0.005
RMSD bond angle	0.787
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.14-3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.862	45.860	1.300
High resolution limit [Å]	1.270	5.680	1.270
Rmerge	0.038	0.027	0.412
Number of reflections	53910	2921	2552
<I/σ(I)>	17.3
Completeness [%]	99.7	99.9	96.9
Redundancy	6.2	6.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	Crystals were grown from a 10 mg/mL frozen protein solution by the hanging drop method at 291-293K, with a 1:1 drop ratio of protein to solution and over a well solution of 0.1 M Tris-hydrochloride (pH 8), 20%-26% (w/v) PEG 4000, 70-170 mM lithium citrate, 8%-18% 2-propanol, 50 mM 2-mercaptoethanol, and 50 mM 2-hydroxyethyl disulfide