5GTX

Crystal structure of mutated buckwheat glutaredoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9776
Spacegroup name	C 2 2 21
Unit cell lengths	53.251, 62.185, 143.407
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.447 - 2.280
R-factor	0.2145
Rwork	0.213
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kqa
RMSD bond length	0.007
RMSD bond angle	0.897
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.10.1-2155)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.280	2.280
Number of reflections	11059
<I/σ(I)>	29.8	3.67
Completeness [%]	100.0	100
Redundancy	12.7	12.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		300	100mM CH3COONa pH4.5 and 23%(w/v) PEG3350