7OPZ

Camel GSTM1-1 in complex with glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-09
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	50.832, 150.151, 191.785
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.890 - 2.550
R-factor	0.2088
Rwork	0.206
R-free	0.27350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gtu
RMSD bond length	0.008
RMSD bond angle	0.968
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MrBUMP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.900	2.640
High resolution limit [Å]	2.550	2.550
Rmeas	0.188
Rpim	0.099
Number of reflections	49030	4404
<I/σ(I)>	10.3
Completeness [%]	100.0	100
Redundancy	6.6	6.9
CC(1/2)	0.997	0.348

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	289	Tris-HCl 100mM, PEG 4000 24% (w/v), sodium formate 0.2 M