3G23

Crystal structure of a ld-carboxypeptidase a (saro_1426) from novosphingobium aromaticivorans dsm at 1.89 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97985, 0.97971
Spacegroup name	P 21 21 21
Unit cell lengths	43.628, 91.042, 145.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.709 - 1.890
R-factor	0.173
Rwork	0.171
R-free	0.20700
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.492
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.709	29.709	1.950
High resolution limit [Å]	1.890	8.500	1.890
Rmerge	0.129	0.042	0.845
Total number of observations		2237	12254
Number of reflections	47086
<I/σ(I)>	5.451	14.8	0.9
Completeness [%]	99.9	96.3	100
Redundancy	4.3	3.8	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	NANODROP, 1.60M (NH4)2SO4, 0.1M Tris-HCl pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K