6JIG

Crystal structure of GMP reductase C318A from Trypanosoma brucei in complex with guanosine 5'-monophosphate

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	2018-07-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	143.277, 143.277, 132.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.346 - 1.903
R-factor	0.2048
Rwork	0.204
R-free	0.22370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6IHY
RMSD bond length	0.006
RMSD bond angle	0.869
Data scaling software	XDS (2018-01-26)
Phasing software	MOLREP (11.4.06)
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.730	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.039	0.988
Number of reflections	54159	8636
<I/σ(I)>	53.6	3.6
Completeness [%]	99.9	99.5
Redundancy	25.5	23.9
CC(1/2)	1.000	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.1M HEPES (pH 7.5), 0.75M NaH2PO4, 0.75M KH2PO4