6FA0

Lysozyme crystallized in presence of 100 mM ammonium sulphate at pH 4.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.966
Spacegroup name	P 21 21 21
Unit cell lengths	30.088, 56.282, 73.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.788 - 1.300
R-factor	0.153
Rwork	0.151
R-free	0.18760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e3u
RMSD bond length	0.007
RMSD bond angle	0.884
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.790	19.790	1.320
High resolution limit [Å]	1.300	7.120	1.300
Rmerge	0.048	0.035	0.697
Rmeas	0.054	0.039	0.788
Rpim	0.024	0.018	0.359
Number of reflections	28509	220	1504
<I/σ(I)>	12.9
Completeness [%]	91.0	94.2	99.6
Redundancy	4.3	4.1	4.6
CC(1/2)	0.999	0.999	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	100 mM Ammonium Sulphate, 0.4 M Sodium Chloride, 0.1 M Sodium Acetate