3L1V

Crystal structure of GmhB from E. coli in complex with calcium and phosphate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-09-05
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	50.575, 64.309, 104.381
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.135 - 1.954
R-factor	0.2494
Rwork	0.246
R-free	0.28380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gmw
RMSD bond length	0.014
RMSD bond angle	1.360
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.290	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.110	0.426
Number of reflections	24747
<I/σ(I)>	6.6	2.6
Completeness [%]	98.3	100
Redundancy	3.89	3.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	25% PEG 3350, 0.1M Tris, 0.005M DTT, 0.025M sodium chloride, 0.005M calcium chloride, 0.005M sodium phosphate, 11% glycerol , pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K