3D0R

Crystal structure of calG3 from Micromonospora echinospora determined in space group P2(1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	57.440, 97.677, 63.046
Unit cell angles	90.00, 90.62, 90.00

Refinement procedure

Resolution	38.750 - 1.900
R-factor	0.162
Rwork	0.160
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d0q
RMSD bond length	0.014
RMSD bond angle	1.416
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.740
High resolution limit [Å]	1.680	3.620	1.680
Rmerge	0.051	0.029	0.496
Number of reflections	68513
<I/σ(I)>	25.11		2.426
Completeness [%]	86.3	99.1	43.6
Redundancy	7	7.6	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Protein solution (10 mg/mL protein, 0.050 M Sodium chloride, 0.010 M Tris-HCl pH 7.5) mixed in a 1:1 ratio with the Well solution (25% PEG 1500). Cryoprotected in FOMBLIN MW2500, VAPOR DIFFUSION, HANGING DROP, temperature 277K