3DPN

Crystal Structure of cpaf s499a mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-12
Detector	MAR CCD 165 mm
Wavelength(s)	1.0000
Spacegroup name	H 3 2
Unit cell lengths	192.670, 192.670, 338.870
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 3.300
Rwork	0.257
R-free	0.30500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dor
RMSD bond length	0.009
RMSD bond angle	1.676
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	3.420
High resolution limit [Å]	3.300	3.300
Rmerge	0.086	0.582
Number of reflections	39050
<I/σ(I)>	16.2	2
Completeness [%]	99.6	98.5
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	3.9M NaNO3, 0.5M NaCl, 0.08M KCl, 0.1M Bis-Tris propane (BTP), pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K