4MUP

Crystal structure of Agrobacterium tumefaciens ATU3138 (EFI target 505157), apo structure

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	2013-06-02
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	53.202, 77.557, 99.714
Unit cell angles	90.00, 95.49, 90.00

Refinement procedure

Resolution	31.598 - 1.600
R-factor	0.1486
Rwork	0.147
R-free	0.18090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 2ffi 4do7 4i6k 4dia 4di8
RMSD bond length	0.009
RMSD bond angle	1.276
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	99.257	99.257	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge	0.095	0.037	0.541
Total number of observations		11086	54371
Number of reflections	103208
<I/σ(I)>	8.5	16.9	1.4
Completeness [%]	97.1	91.8	100
Redundancy	3.6	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	Protein (10 mg/ml in 20 mM Tris, pH 7.9, 150 mM NaCl, 5 mM MgCl2). Reservoir (0.1 M HEPES, pH 7.5, 20% (w/v) PEG 4000, 10% (w/v) Isopropanol) (MCSG4 G11)). Cryoprotection (Reservoir+20% isopropanol), vapor diffusion, sitting drop, temperature 298K, VAPOR DIFFUSION, SITTING DROP