3SPB

Unliganded E. Cloacae MurA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2010-05-09
Detector	RIGAKU SATURN 944+
Spacegroup name	P 21 21 21
Unit cell lengths	81.140, 101.220, 213.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.920 - 2.300
R-factor	0.2
Rwork	0.200
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ejc
RMSD bond length	0.010
RMSD bond angle	1.800
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS (1.3)
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.094	0.369
Number of reflections	78476
<I/σ(I)>	19.7	4.5
Completeness [%]	99.3	99.9
Redundancy	4.8	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20 mg/mL MurA, 25 mM Na/K phosphate pH 6.8, 50 mM Bis-Tris pH 5.5, 12.5 % PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K