8WQZ

X-ray Crystal Structure of Pseudoazurin Met16Gly variant

Replaces:  5WV4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999870
Spacegroup name	P 21 21 21
Unit cell lengths	31.181, 53.014, 59.114
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.470 - 1.200
Rwork	0.131
R-free	0.15260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.986
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.470	39.470	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.055	0.056	0.305
Rmeas	0.065	0.070	0.362
Rpim	0.035	0.041	0.192
Number of reflections	31352	236	1499
<I/σ(I)>	21.6	29.3	8.1
Completeness [%]	99.9	97.9
Redundancy	6.3	4.2	6.3
CC(1/2)	0.996	0.983	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1 M HEPES, 42 %(w/v) PEG200