1PEZ

Bacillus circulans strain 251 mutant A230V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	120
Detector technology	CCD
Collection date	2002-10-20
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	117.622, 109.706, 65.577
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 2.320
R-factor	0.155
Rwork	0.155
R-free	0.19900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1d3c
RMSD bond length	0.005
RMSD bond angle	24.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.410
High resolution limit [Å]	2.320	2.320
Rmerge	0.060	0.271
Total number of observations	356544 *
Number of reflections	36647
<I/σ(I)>	21.8	4.6
Completeness [%]	97.8	95.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	295	Lawson, C.L., (1994) J.Mol.Biol., 236, 590. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MPD	60 (%(v/v))
2	1	reservoir	HEPES	100 (mM)
3	1	drop	alpha-cyclodextrin	10-20 (mg/ml)