5K2P

Crystal structure of lysozyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	76.956, 76.956, 37.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.478 - 1.240
R-factor	0.1355
Rwork	0.134
R-free	0.17280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	193l
RMSD bond length	0.017
RMSD bond angle	1.761
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.260
High resolution limit [Å]	1.240	3.370	1.240
Rmerge	0.060	0.032	0.673
Rmeas	0.063	0.034	0.706
Rpim	0.019	0.010	0.213
Total number of observations	361555
Number of reflections	32317
<I/σ(I)>	13
Completeness [%]	99.9	99.6	99.8
Redundancy	11.2	11.1	10.8
CC(1/2)		0.999	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Tris-HCl pH8.5, 1.3M Ammonium Tartrate Dibasic