5YHY

Structure of Lactococcus lactis ZitR, C30S mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9785
Spacegroup name	P 41 21 2
Unit cell lengths	62.182, 62.182, 117.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.216 - 1.650
R-factor	0.2067
Rwork	0.206
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5GYS
RMSD bond length	0.005
RMSD bond angle	0.844
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	1.570
High resolution limit [Å]	1.520	1.520
Rmerge	0.077	0.973
Number of reflections	36287	3542
<I/σ(I)>	29.2	2.6
Completeness [%]	99.8	100
Redundancy	9.3	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.19mM CYMAL-7, 0.1M HEPES pH 7.5, 40%(v/v) Polyethylene glycol 400