1P4N

Crystal Structure of Weissella viridescens FemX:UDP-MurNAc-pentapeptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-14
Detector	MARRESEARCH
Wavelength(s)	0.979711
Spacegroup name	P 1 21 1
Unit cell lengths	42.201, 100.610, 46.538
Unit cell angles	90.00, 115.64, 90.00

Refinement procedure

Resolution	15.570 - 1.900
R-factor	0.172
Rwork	0.172
R-free	0.20700
Structure solution method	difference fourier synthesis
Starting model (for MR)	1ne9
RMSD bond length	0.005
RMSD bond angle	22.800 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.570	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.073 *	0.190 *
Total number of observations	102033 *
Number of reflections	27221
<I/σ(I)>	7.5	3.7
Completeness [%]	98.6	98
Redundancy	3.6	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	298	PEG 2K, NaCl, sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG2000	25 (%)
3	1	reservoir		300 (mM)
4	1	reservoir	cacodylate	100 (mM)	pH6.5