8XH1

Orthorhombic crystal structure of green fluorescent protein nowGFP at pH 9.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2022-04-29
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	51.244, 52.280, 195.295
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.300 - 1.700
R-factor	0.15616
Rwork	0.153
R-free	0.22049
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.004
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP (5.8.0258)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.079	0.927
Rmeas	0.082	0.961
Rpim	0.022	0.251
Number of reflections	59042	2896
<I/σ(I)>	36.7	3.5
Completeness [%]	100.0	100
Redundancy	14.3	14.5
CC(1/2)	1.000	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	100mM Sodium citrate pH 6.0, 25% (w/v) PEG 4000