6LK4

Crystal structure of GMP reductase from Trypanosoma brucei in complex with guanosine 5'-triphosphate

Replaces:  5X8O

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	144.107, 144.107, 135.698
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.920 - 2.503
R-factor	0.2077
Rwork	0.206
R-free	0.24430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dqw
RMSD bond length	0.007
RMSD bond angle	0.938
Data scaling software	XDS (2017-10-10)
Phasing software	MOLREP (11.4.06)
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.400	2.650
High resolution limit [Å]	2.500	2.500
Rmerge	0.065	0.921
Number of reflections	24874	3926
<I/σ(I)>	43.4	3.2
Completeness [%]	99.9	99.5
Redundancy	24.4	18.1
CC(1/2)	1.000	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M HEPES (pH 7.5), 0.8M NaH2PO4, 0.8M KH2PO4