4Y1B

Structure of crotonyl-CoA carboxylase/reductase AntE V350A in complex with NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9800
Spacegroup name	I 2 2 2
Unit cell lengths	77.580, 95.640, 129.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.820 - 1.500
R-factor	0.1797
Rwork	0.179
R-free	0.19550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4a10
RMSD bond length	0.006
RMSD bond angle	1.119
Phasing software	MOLREP ((CCP4, Program Suite 6.4.0))
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.590
High resolution limit [Å]	1.500	1.500
Rmerge	0.036
Number of reflections	77021
<I/σ(I)>	27.62	4.29
Completeness [%]	99.8	98.9
Redundancy	6.61	6.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10	293	100 mM CAPS pH10.0, 38% PEG400, 1 mM NADPH