5YHZ

Structure of Lactococcus lactis ZitR, E41A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 1W2B
Synchrotron site	BSRF
Beamline	1W2B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-09-26
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	77.357, 94.238, 31.915
Unit cell angles	90.00, 110.10, 90.00

Refinement procedure

Resolution	30.156 - 1.900
R-factor	0.223
Rwork	0.220
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yhx
RMSD bond length	0.020
RMSD bond angle	1.857
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.880	1.880
Rmerge	0.062	0.622
Number of reflections	17200	1711
<I/σ(I)>	19.9	2.1
Completeness [%]	99.5	100
Redundancy	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.05M Calcium chloride dihydrate, 0.1M MES monohydrate pH 6.0, 45%(v/v) Polyethylene glycol 200