6YVQ

Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	48.078, 64.287, 48.020
Unit cell angles	90.00, 110.55, 90.00

Refinement procedure

Resolution	45.018 - 1.480
R-factor	0.1637
Rwork	0.162
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r9r
RMSD bond length	0.006
RMSD bond angle	1.045
Data reduction software	XDS
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.020	45.020	1.580
High resolution limit [Å]	1.480	4.180	1.480
Rmerge	0.074	0.058	0.277
Rmeas	0.085	0.066	0.340
Rpim	0.040	0.032	0.191
Number of reflections	41027	2075	4713
<I/σ(I)>	10.8
Completeness [%]	89.7	99.2	57.4
Redundancy	4.1	4.3	2.9
CC(1/2)	0.994	0.993	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.2 M LiSO4, 0.1 M Bis-Tris pH 5.5, 25 % PEG 3350