5DM3

Crystal Structure of Glutamine Synthetase from Chromohalobacter salexigens DSM 3043(Csal_0679, TARGET EFI-550015) with bound ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-13
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	132.983, 221.339, 199.353
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.064 - 2.600
R-factor	0.2043
Rwork	0.201
R-free	0.27410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lni
RMSD bond length	0.009
RMSD bond angle	1.229
Data reduction software	DIALS
Data scaling software	DIALS (0.5.12)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	199.350	199.350	2.640
High resolution limit [Å]	2.600	14.240	2.600
Rmerge	0.171	0.078	1.711
Rpim	0.068	0.033	0.809
Total number of observations	654205	3712	22554
Number of reflections	90297
<I/σ(I)>	7.1	14.6	0.8
Completeness [%]	99.9	99	98.9
Redundancy	7.2	6	5.1
CC(1/2)	0.994	0.990	0.307

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein (5mM MgCl2, 5mM ATP, 10 mM HEPES pH 7.5, 5 mM DTT); Reservoir (.1 M Sodium Citrate:HCl pH 5.6, 10% (w/v) PEG 4000, 10% (v/v) 2-Propanol); Cryoprotection (20% Ethylene glycol, 80% Reservoir)