3PZ0

The crystal structure of AaLeuRS-CP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	38.958, 94.565, 118.309
Unit cell angles	90.00, 90.33, 90.00

Refinement procedure

Resolution	34.510 - 2.400
R-factor	0.21978
Rwork	0.217
R-free	0.27369
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pz5
RMSD bond length	0.007
RMSD bond angle	1.053
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.460
High resolution limit [Å]	2.400	2.400
Number of reflections	33791
Completeness [%]		80.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	293	17 % polyethylene glycol 8000 (PEG 8000), 0.1 M sodium cacodylate trihydrate pH 6.8 and 0.2 M calcium acetate hydrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K