6XNU

CRYSTAL STRUCTURE OF CBPB PROTEIN (LMO1009) FROM LISTERIA MONOCYTOGENES

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-06
Detector	MAR CCD 165 mm
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	54.260, 71.972, 74.648
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.330 - 1.620
R-factor	0.2015
Rwork	0.200
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lqn
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.680
High resolution limit [Å]	1.620	3.490	1.620
Rmerge	0.046	0.035	0.391
Rmeas	0.052	0.039	0.444
Rpim	0.022	0.017	0.205
Total number of observations	200768
Number of reflections	37711	3988	3418
<I/σ(I)>	16.4
Completeness [%]	98.9	98.2	90.8
Redundancy	5.3	5.2	4.3
CC(1/2)		0.998	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.1	298	0.1 M MES (pH 6.1), and 17% MPD