3BKX

Crystal structure of cyclopropane-fatty-acyl-phospholipid synthase-like protein (YP_807781.1) from Lactobacillus casei ATCC 334 at 1.85 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97916
Spacegroup name	C 1 2 1
Unit cell lengths	84.136, 42.381, 154.014
Unit cell angles	90.00, 103.87, 90.00

Refinement procedure

Resolution	40.825 - 1.850
R-factor	0.188
Rwork	0.185
R-free	0.24200
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.488
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.4.0062)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.825	40.825	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge	0.146	0.046	0.611
Total number of observations		7489	29250
Number of reflections	45283
<I/σ(I)>	5.1	13.8	1.3
Completeness [%]	99.5	99.8	97.2
Redundancy	5.2	4.9	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	NANODROP, 0.2M NH4OAc, 30.0% PEG 4000, 0.1M Citrate pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K