5YSG

X-ray Crystal Structure of Pseudoazurin Met16Gly Variant, Reduced Form.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-06-06
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	91.530, 91.490, 78.570
Unit cell angles	90.00, 90.04, 90.00

Refinement procedure

Resolution	29.920 - 2.000
R-factor	0.17369
Rwork	0.172
R-free	0.20254
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bqk
RMSD bond length	0.020
RMSD bond angle	1.961
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.002	29.922	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.023	0.352
Rmeas	0.065	0.027	0.417
Rpim	0.034	0.015	0.220
Number of reflections	43773	1415	6367
<I/σ(I)>	15.2	23.5	2.2
Completeness [%]	100.0	99.2	100
Redundancy	3.6	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	30 % PEG1000, 0.1 M Tris-HCl