6JL8

Crystal structure of GMP reductase C318A from Trypanosoma brucei

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	2019-01-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	124.564, 124.564, 540.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.807 - 2.804
R-factor	0.2249
Rwork	0.223
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6IHY
RMSD bond length	0.009
RMSD bond angle	1.017
Data scaling software	XDS (2018-01-26)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.510	2.970
High resolution limit [Å]	2.800	2.800
Rmerge	0.141	0.910
Number of reflections	52835	8338
<I/σ(I)>	18.2
Completeness [%]	99.9	99.4
Redundancy	12.9	13.3
CC(1/2)	0.999	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M imidazole/hydrochloric acid (pH 8.0), 3% (w/v) PEG 3350, 0.35M lithium sulfate