3KW0

Crystal structure of Cysteine peptidase (NP_982244.1) from BACILLUS CEREUS ATCC 10987 at 2.50 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-20
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 65
Unit cell lengths	64.960, 64.960, 407.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.769 - 2.500
R-factor	0.193
Rwork	0.192
R-free	0.21900
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.476
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.774	37.774	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge	0.080	0.047	1.037
Number of reflections	33303	1054	4807
<I/σ(I)>	15.3	40.8	1.7
Completeness [%]	98.7	98.1	99.7
Redundancy	5.7	5.5	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.8M KH2PO4, 0.8M NaH2PO4, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K