2EVR

CRYSTAL STRUCTURE OF A PUTATIVE GAMMA-D-GLUTAMYL-L-DIAMINO ACID ENDOPEPTIDASE (NPUN_R0659) FROM NOSTOC PUNCTIFORME PCC 73102 AT 1.60 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-28
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0163, 0.9797
Spacegroup name	P 41 2 2
Unit cell lengths	90.470, 90.470, 93.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.710 - 1.600
Rwork	0.159
R-free	0.17600
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.508
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.710		1.660
High resolution limit [Å]	1.600	3.440	1.600
Rmerge	0.115	0.821	0.821
Number of reflections	51615	9884	9223
<I/σ(I)>	9.36	23.35	2.15
Completeness [%]	97.0		90
Redundancy	4.31		3.33

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP		277	2.0M NaCl, 10.0% PEG-6000, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K