4E7G

E. cloacae C115D/R120A MurA in the unliganded state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2010-05-22
Detector	RIGAKU SATURN 944+
Spacegroup name	P 21 21 21
Unit cell lengths	66.840, 73.860, 99.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.610 - 1.600
R-factor	0.183
Rwork	0.183
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3spb
RMSD bond length	0.010
RMSD bond angle	1.700
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.062	0.406
Number of reflections	65232
<I/σ(I)>	30.5	4.8
Completeness [%]	99.0	96.6
Redundancy	3.7	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	20 mg/mL MurA, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K