1J6U

Crystal structure of UDP-N-acetylmuramate-alanine ligase MurC (TM0231) from Thermotoga maritima at 2.3 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-01
Detector	ADSC QUANTUM 4
Spacegroup name	I 41 3 2
Unit cell lengths	244.110, 244.110, 244.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.600 - 2.300
R-factor	0.234
Rwork	0.234
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.770
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.710 *	2.370
High resolution limit [Å]	2.300	2.300 *
Rmerge	0.124 *	0.550 *
Total number of observations	252363 *
Number of reflections	54912 *
<I/σ(I)>	9.55	0.96
Completeness [%]	97.7 *	96.5 *
Redundancy	4.3	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *	7.5	293	Santarsiero, B.D., (2002) J. Appl. Crystallogr., 35, 278. *