3HN7

Crystal structure of a murein peptide ligase mpl (psyc_0032) from psychrobacter arcticus 273-4 at 1.65 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97932,0.97920
Spacegroup name	C 1 2 1
Unit cell lengths	105.452, 52.755, 89.986
Unit cell angles	90.00, 98.47, 90.00

Refinement procedure

Resolution	29.025 - 1.650
R-factor	0.156
Rwork	0.154
R-free	0.18700
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.594
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.025	29.030	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.076	0.047	0.512
Total number of observations		2125	14302
Number of reflections	59026
<I/σ(I)>	7.479	12.6	1.5
Completeness [%]	100.0	97.9	100
Redundancy	3.3	3.1	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2000M NaOAc, 30.0000% PEG-4000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K