9KJ7

Real-space refinement for the hen egg-white lysozyme structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-18
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	P 43 21 2
Unit cell lengths	78.137, 78.137, 36.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.280 - 1.300
R-factor	0.18702
Rwork	0.186
R-free	0.20878
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.937
Data reduction software	CrysalisPro (43.121a)
Data scaling software	CrysalisPro (43.121a)
Phasing software	REFMAC (5.8.0430)
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.280	1.350
High resolution limit [Å]	1.300	1.300
Rmerge		0.513
Number of reflections	28690	2875
<I/σ(I)>	22.3
Completeness [%]	100.0
Redundancy	9.7
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277.15	NaCl, Acetic-sodium acetate buffer