8XH2

Orthorhombic crystal structure of green fluorescent protein nowGFP at pH 6.0

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	51.166, 51.712, 196.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.230 - 1.800
R-factor	0.15271
Rwork	0.149
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.038
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	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.071	0.894
Rmeas	0.074	0.926
Rpim	0.019	0.239
Number of reflections	49354	2433
<I/σ(I)>	39.6	3.6
Completeness [%]	99.8	99.5
Redundancy	14.4	14.6
CC(1/2)	0.999	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	100mM Sodium citrate pH 6.0, 25% (w/v) PEG 4000