4E7F

E. cloacae C115D MurA in complex with UDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	CCD
Collection date	2010-04-10
Detector	RIGAKU SATURN 944+
Spacegroup name	P 21 21 21
Unit cell lengths	81.120, 101.410, 213.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.830 - 2.150
R-factor	0.188
Rwork	0.188
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3spb
RMSD bond length	0.010
RMSD bond angle	1.800
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	2.200
High resolution limit [Å]	2.150	2.150
Rmerge	0.115	0.524
Number of reflections	96011
<I/σ(I)>	23.8	3
Completeness [%]	99.6	98.7
Redundancy	4.3	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	20 mg/mL MurA, 5 mM UDP, 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