6UHK

Crystal Structure of C176 mGFP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-05
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	I 2 2 2
Unit cell lengths	88.930, 91.760, 151.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.970 - 1.900
R-factor	0.1885
Rwork	0.186
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5n9o
RMSD bond length	0.012
RMSD bond angle	1.855
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.513	78.513	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.051	0.515
Rmeas	0.088	0.055	0.553
Rpim	0.032	0.020	0.201
Total number of observations	727590
Number of reflections	96006	3150	13962
<I/σ(I)>	14.7	31.4	3.8
Completeness [%]	100.0	100	99.9
Redundancy	7.6	7.4	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	1 microliter C176 mGFP (5 mg/mL protein in 10 mM Tris Buffer pH 7.4, 137 mM NaCl) + 1 microliter crystallization condition (2.1 M DL-malic acid, pH 7.0) in a sitting drop with a 70 microliter reservoir (2.1 M DL-malic acid, pH 7.0)