3OJF

Crystal Structure of the Bacillus cereus Enoyl-Acyl Carrier Protein Reductase with NADP+ and indole naphthyridinone (Complex form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6B
Synchrotron site	PAL/PLS
Beamline	6B
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-21
Detector	ADSC QUANTUM 210
Wavelength(s)	1.12174
Spacegroup name	P 21 21 21
Unit cell lengths	72.740, 89.257, 185.803
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.590 - 2.200
R-factor	0.18551
Rwork	0.183
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c14
RMSD bond length	0.022
RMSD bond angle	2.127
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.196	2.196
Rmerge	0.078	0.236
Total number of observations	1090014
Number of reflections	62536
<I/σ(I)>	17.1	2.4
Completeness [%]	96.0	91
Redundancy	4.6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	0.1M sodium citrate, 8% PEG 10000, 0.4M magnesium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K