5WJ3

Crystal structure of green fluorescent protein Clover mutant S147C/Q204C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	68.620, 82.028, 92.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.015 - 1.351
R-factor	0.143
Rwork	0.142
R-free	0.16220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qyq
RMSD bond length	0.005
RMSD bond angle	1.131
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.370
High resolution limit [Å]	1.350	3.660	1.350
Rmerge	0.052	0.032	0.463
Rmeas	0.057	0.035	0.500
Rpim	0.021	0.014	0.187
Total number of observations	788958
Number of reflections	110794
<I/σ(I)>	14.1
Completeness [%]	97.1	93.9	94.7
Redundancy	7.1	6.4	6.9
CC(1/2)		0.999	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	100mM Tris, pH 8.5, 50mM MgCl2, 25% PEG3350