5DL9

Structure of Tetragonal Lysozyme in complex with Iodine solved by UWO Students

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 43 21 2
Unit cell lengths	79.459, 79.459, 37.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.573 - 1.380
R-factor	0.1564
Rwork	0.154
R-free	0.18430
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.322
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.250
High resolution limit [Å]	1.230	3.340	1.230
Rmerge	0.073	0.041	0.713
Rmeas	0.076	0.043	0.799
Rpim	0.020	0.012	0.348
Total number of observations	400124
Number of reflections	31941
<I/σ(I)>	12.4
Completeness [%]	92.0	99.6	51.6
Redundancy	12.5	13.2	4.2
CC(1/2)		0.999	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	Protein Solution (60 mg/ml protein in 0.1M Na acetate pH 4.6) mixed in a 1:1 ratio with the Well Solution (10% NaCl buffered in 0.1 M Na acetate pH 4.5). Cryoprotected in 10% NaI, 0.1 M Na acetate pH 4.5 25% ethylene glycol