7LUG

Crystal structure of the pnRFP B30Y mutant

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03321
Spacegroup name	C 1 2 1
Unit cell lengths	84.284, 34.107, 89.222
Unit cell angles	90.00, 110.79, 90.00

Refinement procedure

Resolution	41.850 - 1.950
R-factor	0.1897
Rwork	0.189
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lqo
RMSD bond length	0.005
RMSD bond angle	1.531
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.850	2.000
High resolution limit [Å]	1.950	1.950
Number of reflections	17539	1245
<I/σ(I)>	10.8
Completeness [%]	99.3
Redundancy	3.56
CC(1/2)	0.998	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		286	Sodium phosphate, citric acid, PEG400