4FW8

Crystal structure of FABG4 complexed with Coenzyme NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2010-12-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	63.333, 71.304, 93.293
Unit cell angles	104.99, 97.08, 93.66

Refinement procedure

Resolution	19.860 - 2.790
R-factor	0.1656
Rwork	0.162
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.565
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.166	19.858	2.940
High resolution limit [Å]	2.786	8.810	2.790
Rmerge		0.032	0.503
Rmeas		0.038	0.584
Rpim		0.019	0.295
Total number of observations		4320	19194
Number of reflections	37439
<I/σ(I)>	11	31.9	3
Completeness [%]	96.2	90.7	89.1
Redundancy	3.9	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1M MES PH 6.5, 47% (v/v) POLYPROPYLENE GLYCOL P400, VAPOR DIFFUSION, HANGING DROP, temperature 298K